From ca6c32234e87f0a96f44380c7bd5ff5fbe0ad9e5 Mon Sep 17 00:00:00 2001 From: TanskaAnnna Date: Fri, 4 Jun 2021 21:07:26 +0000 Subject: [PATCH 1/5] Commit from GitHub Actions (Update Indications on Merge) --- indication_paths.json | 1748 +++++++++++++++++++++++++++++++++++++++++ indication_paths.yaml | 1111 ++++++++++++++++++++++++++ submission.yaml | 1071 +------------------------ 3 files changed, 2860 insertions(+), 1070 deletions(-) diff --git a/indication_paths.json b/indication_paths.json index e0ab98922..6629b3c51 100644 --- a/indication_paths.json +++ b/indication_paths.json @@ -216613,5 +216613,1753 @@ "reference": [ "https://go.drugbank.com/drugs/DB11074" ] + }, + { + "comment": "Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin).", + "directed": true, + "graph": { + "_id": "DB09335_MESH_D014552_1", + "disease": "Urinary tract infectious disease", + "disease_mesh": "MESH:D014552", + "drug": "alatrofloxacin", + "drug_mesh": "MESH:C106856", + "drugbank": "DB:DB09335" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C106856", + "target": "DB:DB00685" + }, + { + "key": "negatively regulates", + "source": "DB:DB00685", + "target": "InterPro:IPR035516" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR035516", + "target": "GO:0006265" + }, + { + "key": "in taxon", + "source": "GO:0006265", + "target": "NCBITaxon:562" + }, + { + "key": "causes", + "source": "NCBITaxon:562", + "target": "MESH:D014552" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C106856", + "label": "Drug", + "name": "alatrofloxacin" + }, + { + "id": "DB:DB00685", + "label": "ChemicalSubstance", + "name": "Trovafloxacin" + }, + { + "id": "InterPro:IPR035516", + "label": "GeneFamily", + "name": "DNA gyrase/topoisomerase IV, subunit A, C-terminal" + }, + { + "id": "GO:0006265", + "label": "BiologicalProcess", + "name": "DNA topological change" + }, + { + "id": "NCBITaxon:562", + "label": "OrganismTaxon", + "name": "Escherichia coli" + }, + { + "id": "MESH:D014552", + "label": "Disease", + "name": "Urinary tract infectious disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09335", + "https://go.drugbank.com/drugs/DB00685", + "https://en.wikipedia.org/wiki/Trovafloxacin" + ] + }, + { + "comment": "Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). 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"Motion sickness", + "disease_mesh": "MESH:D009041", + "drug": "meclozine", + "drug_mesh": "MESH:D008468", + "drugbank": "DB:DB00737" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D008468", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "HP:0002017" + }, + { + "key": "manifestation of", + "source": "HP:0002017", + "target": "MESH:D009041" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_name": [ + "Meclizine" + ], + "id": "MESH:D008468", + "label": "Drug", + "name": "meclozine" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "HP:0002017", + "label": "PhenotypicFeature", + "name": "Nausea and vomiting" + }, + { + "id": "MESH:D009041", + "label": "Disease", + "name": "Motion sickness" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00737", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1623/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00737_MESH_D014717_1", + "disease": "Vertigo", + "disease_mesh": "MESH:D014717", + "drug": "meclozine", + "drug_mesh": "MESH:D008468", + "drugbank": "DB:DB00737" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D008468", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "HP:0002017" + }, + { + "key": "manifestation of", + "source": "HP:0002017", + "target": "MESH:D014717" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_name": [ + "Meclizine" + ], + "id": "MESH:D008468", + "label": "Drug", + "name": "meclozine" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "HP:0002017", + "label": "PhenotypicFeature", + "name": "Nausea and vomiting" + }, + { + "id": "MESH:D014717", + "label": "Disease", + "name": "Vertigo" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00737", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1623/", + "https://en.wikipedia.org/wiki/Vertigo#Signs_and_symptoms", + "https://en.wikipedia.org/wiki/Vertigo#Pathophysiology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00985_MESH_D009041_1", + "disease": "Motion sickness", + "disease_mesh": "MESH:D009041", + "drug": "dimenhydrinate", + "drug_mesh": "MESH:D004111", + "drugbank": "DB:DB00985" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004111", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "HP:0002017" + }, + { + "key": "manifestation of", + "source": "HP:0002017", + "target": "MESH:D009041" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004111", + "label": "Drug", + "name": "dimenhydrinate" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "HP:0002017", + "label": "PhenotypicFeature", + "name": "Nausea and vomiting" + }, + { + "id": "MESH:D009041", + "label": "Disease", + "name": "Motion sickness" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00985" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00985_MESH_D009325_1", + "disease": "Nausea", + "disease_mesh": "MESH:D009325", + "drug": "dimenhydrinate", + "drug_mesh": "MESH:D004111", + "drugbank": "DB:DB00985" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004111", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "MESH:D009325" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004111", + "label": "Drug", + "name": "dimenhydrinate" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "MESH:D009325", + "label": "Disease", + "name": "Nausea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00985" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00985_MESH_D014717_1", + "disease": "Vertigo", + "disease_mesh": "MESH:D014717", + "drug": "dimenhydrinate", + "drug_mesh": "MESH:D004111", + "drugbank": "DB:DB00985" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004111", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "HP:0002017" + }, + { + "key": "manifestation of", + "source": "HP:0002017", + "target": "MESH:D014717" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004111", + "label": "Drug", + "name": "dimenhydrinate" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "HP:0002017", + "label": "PhenotypicFeature", + "name": "Nausea and vomiting" + }, + { + "id": "MESH:D014717", + "label": "Disease", + "name": "Vertigo" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00985" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00985_MESH_D014839_1", + "disease": "Vomiting", + "disease_mesh": "MESH:D014839", + "drug": "dimenhydrinate", + "drug_mesh": "MESH:D004111", + "drugbank": "DB:DB00985" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004111", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "MESH:D014839" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004111", + "label": "Drug", + "name": "dimenhydrinate" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "MESH:D014839", + "label": "Disease", + "name": "Vomiting" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00985" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00774_MESH_D004487_1", + "disease": "Edema", + "disease_mesh": "MESH:D004487", + "drug": "hydroflumethiazide", + "drug_mesh": "MESH:D006857", + "drugbank": "DB:DB00774" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D006857", + "target": "UniProt:P55017" + }, + { + "key": "positively regulates", + "source": "UniProt:P55017", + "target": "GO:0070294" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "MESH:D004487" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D006857", + "label": "Drug", + "name": "hydroflumethiazide" + }, + { + "id": "UniProt:P55017", + "label": "Protein", + "name": "Solute carrier family 12 member 3" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "renal sodium ion absorption" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "renal water retention" + }, + { + "id": "MESH:D004487", + "label": "Disease", + "name": "Edema" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1763/" + ] + }, + { + "comment": "The hypotensive effects of hydroflumethiazide and other thiazides are not necessarily due to their diuretic activity (https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2904515/#S1title). The exact mechanism is yet not fully understood.", + "directed": true, + "graph": { + "_id": "DB00774_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MESH:D006973", + "drug": "hydroflumethiazide", + "drug_mesh": "MESH:D006857", + "drugbank": "DB:DB00774" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D006857", + "target": "UniProt:P55017" + }, + { + "key": "positively regulates", + "source": "UniProt:P55017", + "target": "GO:0070294" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "HP:0033533" + }, + { + "key": "positively correlated with", + "source": "HP:0033533", + "target": "HP:0032263" + }, + { + "key": "decreases activity of", + "source": "MESH:D006857", + "target": "UniProt:P00918" + }, + { + "key": "positively regulates", + "source": "UniProt:P00918", + "target": "GO:0038166" + }, + { + "key": "positively correlated with", + "source": "GO:0038166", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0032263" + }, + { + "key": "positively regulates", + "source": "MESH:D006857", + "target": "UniProt:Q12791" + }, + { + "key": "positively regulates", + "source": "UniProt:Q12791", + "target": "GO:0060087" + }, + { + "key": "negatively correlated with", + "source": "GO:0060087", + "target": "HP:0032263" + }, + { + "key": "manifestation of", + "source": "HP:0032263", + "target": "MESH:D006973" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D006857", + "label": "Drug", + "name": "hydroflumethiazide" + }, + { + "id": "UniProt:P55017", + "label": "Protein", + "name": "Solute carrier family 12 member 3" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "renal sodium ion absorption" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "renal water retention" + }, + { + "id": "HP:0033533", + "label": "PhenotypicFeature", + "name": "Increased cardiac output" + }, + { + "id": "UniProt:Q12791", + "label": "Protein", + "name": "Calcium-activated potassium channel subunit alpha-1" + }, + { + "id": "UniProt:P00918", + "label": "Protein", + "name": "Carbonic anhydrase 2" + }, + { + "id": "GO:0060087", + "label": "BiologicalProcess", + "name": "relaxation of vascular associated smooth muscle" + }, + { + "id": "GO:0038166", + "label": "BiologicalProcess", + "name": "angiotensin-activated signaling pathway" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0032263", + "label": "PhenotypicFeature", + "name": "Increased blood pressure" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00774#pharmacodynamics", + "https://go.drugbank.com/drugs/DB00774#BE0000553", + "https://en.wikipedia.org/wiki/Category:Carbonic_anhydrase_inhibitors", + "https://go.drugbank.com/drugs/DB00774#BE0000267", + "https://pubchem.ncbi.nlm.nih.gov/compound/3647#section=Mechanism-of-Action" + ] + }, + { + "comment": "Diphenoxylic acid (or difenoxin) is the pharmacologically active metabolite of diphenoxylate (https://pubmed.ncbi.nlm.nih.gov/3682841/), being 5 times more potent (https://pharmaceutical-journal.com/article/ld/understanding-the-chemical-basis-of-drug-stability-and-degradation). Diphenoxylate is rapidly metabolized to difenoxin (https://en.wikipedia.org/wiki/Diphenoxylate#Pharmacology). It's been suggested that difenoxin may regulate non-opioid receptor pathways as well (https://go.drugbank.com/drugs/DB01501#mechanism-of-action).", + "directed": true, + "graph": { + "_id": "DB01081_MESH_D003967_1", + "disease": "Diarrhea", + "disease_mesh": "MESH:D003967", + "drug": "diphenoxylate", + "drug_mesh": "MESH:D004157", + "drugbank": "DB:DB01081" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D004157", + "target": "DB:DB01501" + }, + { + "key": "increases activity of", + "source": "DB:DB01501", + "target": "UniProt:P35372" + }, + { + "key": "negatively regulates", + "source": "UniProt:P35372", + "target": "GO:0120054" + }, + { + "key": "positively correlated with", + "source": "GO:0120054", + "target": "MESH:D003967" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004157", + "label": "Drug", + "name": "diphenoxylate" + }, + { + "id": "DB:DB01501", + "label": "ChemicalSubstance", + "name": "Difenoxin" + }, + { + "id": "UniProt:P35372", + "label": "Protein", + "name": "Mu-type opioid receptor" + }, + { + "id": "GO:0120054", + "label": "BiologicalProcess", + "name": "intestinal motility" + }, + { + "id": "MESH:D003967", + "label": "Disease", + "name": "Diarrhea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01081", + "https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL1201294" + ] + }, + { + "comment": "Note that DrugCentral only lists Congestive heart failure as indications for this drug, whereas other sources include edema, hypertension e ascites (https://drugs.ncats.io/drug/MR40VT1L8Z#general).", + "directed": true, + "graph": { + "_id": "DB08961_MESH_D006333_1", + "disease": "Congestive heart failure", + "disease_mesh": "MESH:D006333", + "drug": "azosemide", + "drug_mesh": "MESH:C018222", + "drugbank": "DB:DB08961" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C018222", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "HP:0000822" + }, + { + "key": "affects risk for", + "source": "HP:0000822", + "target": "MESH:D006333" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C018222", + "label": "Drug", + "name": "azosemide" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "renal water retention" + }, + { + "id": "HP:0000822", + "label": "PhenotypicFeature", + "name": "Hypertension" + }, + { + "id": "MESH:D006333", + "label": "Disease", + "name": "Congestive heart failure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08961" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09027_MESH_D019698_1", + "disease": "Chronic hepatitis C", + "disease_mesh": "MESH:D019698", + "drug": "ledipasvir", + "drug_mesh": "MESH:C586541", + "drugbank": "DB:DB09027" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C586541", + "target": "UniProt:Q5L478" + }, + { + "key": "positively regulates", + "source": "UniProt:Q5L478", + "target": "GO:0003968" + }, + { + "key": "in taxon", + "source": "GO:0003968", + "target": "NCBITaxon:11103" + }, + { + "key": "causes", + "source": "NCBITaxon:11103", + "target": "MESH:D019698" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C586541", + "label": "Drug", + "name": "ledipasvir" + }, + { + "id": "UniProt:Q5L478", + "label": "Protein", + "name": "Nonstructural protein 5A" + }, + { + "id": "GO:0003968", + "label": "MolecularActivity", + "name": "RNA-directed 5'-3' RNA polymerase activity" + }, + { + "id": "NCBITaxon:11103", + "label": "OrganismTaxon", + "name": "Hepacivirus C" + }, + { + "id": "MESH:D019698", + "label": "Disease", + "name": "Chronic hepatitis C" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09027", + "https://en.wikipedia.org/wiki/Ledipasvir#Mechanism_of_action" + ] } ] \ No newline at end of file diff --git a/indication_paths.yaml b/indication_paths.yaml index 555a6883f..6ab1a8804 100644 --- a/indication_paths.yaml +++ b/indication_paths.yaml @@ -136175,3 +136175,1114 @@ name: Diaper rash reference: - https://go.drugbank.com/drugs/DB11074 +- comment: Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). + Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin). + directed: true + graph: + _id: DB09335_MESH_D014552_1 + disease: Urinary tract infectious disease + disease_mesh: MESH:D014552 + drug: alatrofloxacin + drug_mesh: MESH:C106856 + drugbank: DB:DB09335 + links: + - key: has metabolite + source: MESH:C106856 + target: DB:DB00685 + - key: negatively regulates + source: DB:DB00685 + target: InterPro:IPR035516 + - key: positively regulates + source: InterPro:IPR035516 + target: GO:0006265 + - key: in taxon + source: GO:0006265 + target: NCBITaxon:562 + - key: causes + source: NCBITaxon:562 + target: MESH:D014552 + multigraph: true + nodes: + - id: MESH:C106856 + label: Drug + name: alatrofloxacin + - id: DB:DB00685 + label: ChemicalSubstance + name: Trovafloxacin + - id: InterPro:IPR035516 + label: GeneFamily + name: DNA gyrase/topoisomerase IV, subunit A, C-terminal + - id: GO:0006265 + label: BiologicalProcess + name: DNA topological change + - id: NCBITaxon:562 + label: OrganismTaxon + name: Escherichia coli + - id: MESH:D014552 + label: Disease + name: Urinary tract infectious disease + reference: + - https://go.drugbank.com/drugs/DB09335 + - https://go.drugbank.com/drugs/DB00685 + - https://en.wikipedia.org/wiki/Trovafloxacin +- comment: Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). + Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin). + directed: true + graph: + _id: DB09335_MESH_D059413_1 + disease: Infectious disease of abdomen + disease_mesh: MESH:D059413 + drug: alatrofloxacin + drug_mesh: MESH:C106856 + drugbank: DB:DB09335 + links: + - key: has metabolite + source: MESH:C106856 + target: DB:DB00685 + - key: negatively regulates + source: DB:DB00685 + target: InterPro:IPR035516 + - key: positively regulates + source: InterPro:IPR035516 + target: GO:0006265 + - key: in taxon + source: GO:0006265 + target: NCBITaxon:562 + - key: causes + source: NCBITaxon:562 + target: MESH:D059413 + multigraph: true + nodes: + - id: MESH:C106856 + label: Drug + name: alatrofloxacin + - id: DB:DB00685 + label: ChemicalSubstance + name: Trovafloxacin + - id: InterPro:IPR035516 + label: GeneFamily + name: DNA gyrase/topoisomerase IV, subunit A, C-terminal + - id: GO:0006265 + label: BiologicalProcess + name: DNA topological change + - id: NCBITaxon:562 + label: OrganismTaxon + name: Escherichia coli + - id: MESH:D059413 + label: Disease + name: Infectious disease of abdomen + reference: + - https://go.drugbank.com/drugs/DB09335 + - https://go.drugbank.com/drugs/DB00685 + - https://en.wikipedia.org/wiki/Trovafloxacin +- comment: Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). + Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin). + directed: true + graph: + _id: DB09335_MESH_D061387_1 + disease: Chlamydial pneumonia + disease_mesh: MESH:D061387 + drug: alatrofloxacin + drug_mesh: MESH:C106856 + drugbank: DB:DB09335 + links: + - key: has metabolite + source: MESH:C106856 + target: DB:DB00685 + - key: negatively regulates + source: DB:DB00685 + target: InterPro:IPR035516 + - key: positively regulates + source: InterPro:IPR035516 + target: GO:0006265 + - key: in taxon + source: GO:0006265 + target: NCBITaxon:83558 + - key: causes + source: NCBITaxon:83558 + target: MESH:D061387 + multigraph: true + nodes: + - id: MESH:C106856 + label: Drug + name: alatrofloxacin + - id: DB:DB00685 + label: ChemicalSubstance + name: Trovafloxacin + - id: InterPro:IPR035516 + label: GeneFamily + name: DNA gyrase/topoisomerase IV, subunit A, C-terminal + - id: GO:0006265 + label: BiologicalProcess + name: DNA topological change + - id: NCBITaxon:83558 + label: OrganismTaxon + name: Chlamydia pneumoniae + - id: MESH:D061387 + label: Disease + name: Chlamydial pneumonia + reference: + - https://go.drugbank.com/drugs/DB09335 + - https://go.drugbank.com/drugs/DB00685 + - https://en.wikipedia.org/wiki/Trovafloxacin +- comment: Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). + Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin). + directed: true + graph: + _id: DB09335_MESH_D011018_1 + disease: Pneumonia due to Streptococcus + disease_mesh: MESH:D011018 + drug: alatrofloxacin + drug_mesh: MESH:C106856 + drugbank: DB:DB09335 + links: + - key: has metabolite + source: MESH:C106856 + target: DB:DB00685 + - key: negatively regulates + source: DB:DB00685 + target: InterPro:IPR035516 + - key: positively regulates + source: InterPro:IPR035516 + target: GO:0006265 + - key: in taxon + source: GO:0006265 + target: NCBITaxon:1313 + - key: causes + source: NCBITaxon:1313 + target: MESH:D011018 + multigraph: true + nodes: + - id: MESH:C106856 + label: Drug + name: alatrofloxacin + - id: DB:DB00685 + label: ChemicalSubstance + name: Trovafloxacin + - id: InterPro:IPR035516 + label: GeneFamily + name: DNA gyrase/topoisomerase IV, subunit A, C-terminal + - id: GO:0006265 + label: BiologicalProcess + name: DNA topological change + - id: NCBITaxon:1313 + label: OrganismTaxon + name: Streptococcus pneumoniae + - id: MESH:D011018 + label: Disease + name: Pneumonia due to Streptococcus + reference: + - https://go.drugbank.com/drugs/DB09335 + - https://go.drugbank.com/drugs/DB00685 + - https://en.wikipedia.org/wiki/Trovafloxacin +- comment: Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). + Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin). + directed: true + graph: + _id: DB09335_MESH_D011023_2 + disease: Staphylococcal pneumonia + disease_mesh: MESH:D011023 + drug: alatrofloxacin + drug_mesh: MESH:C106856 + drugbank: DB:DB09335 + links: + - key: has metabolite + source: MESH:C106856 + target: DB:DB00685 + - key: negatively regulates + source: DB:DB00685 + target: InterPro:IPR035516 + - key: positively regulates + source: InterPro:IPR035516 + target: GO:0006265 + - key: in taxon + source: GO:0006265 + target: NCBITaxon:1280 + - key: causes + source: NCBITaxon:1280 + target: MESH:D011023 + multigraph: true + nodes: + - id: MESH:C106856 + label: Drug + name: alatrofloxacin + - id: DB:DB00685 + label: ChemicalSubstance + name: Trovafloxacin + - id: InterPro:IPR035516 + label: GeneFamily + name: DNA gyrase/topoisomerase IV, subunit A, C-terminal + - id: GO:0006265 + label: BiologicalProcess + name: DNA topological change + - id: NCBITaxon:1280 + label: OrganismTaxon + name: Staphylococcus aureus + - id: MESH:D011023 + label: Disease + name: Staphylococcal pneumonia + reference: + - https://go.drugbank.com/drugs/DB09335 + - https://go.drugbank.com/drugs/DB00685 + - https://en.wikipedia.org/wiki/Trovafloxacin +- comment: Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). + Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin). + directed: true + graph: + _id: DB09335_MESH_D011019_1 + disease: Pneumonia due to Mycoplasma pneumoniae + disease_mesh: MESH:D011019 + drug: alatrofloxacin + drug_mesh: MESH:C106856 + drugbank: DB:DB09335 + links: + - key: has metabolite + source: MESH:C106856 + target: DB:DB00685 + - key: negatively regulates + source: DB:DB00685 + target: InterPro:IPR035516 + - key: positively regulates + source: InterPro:IPR035516 + target: GO:0006265 + - key: in taxon + source: GO:0006265 + target: NCBITaxon:2104 + - key: causes + source: NCBITaxon:2104 + target: MESH:D011019 + multigraph: true + nodes: + - id: MESH:C106856 + label: Drug + name: alatrofloxacin + - id: DB:DB00685 + label: ChemicalSubstance + name: Trovafloxacin + - id: InterPro:IPR035516 + label: GeneFamily + name: DNA gyrase/topoisomerase IV, subunit A, C-terminal + - id: GO:0006265 + label: BiologicalProcess + name: DNA topological change + - id: NCBITaxon:2104 + label: OrganismTaxon + name: Mycoplasma pneumoniae + - id: MESH:D011019 + label: Disease + name: Pneumonia due to Mycoplasma pneumoniae + reference: + - https://go.drugbank.com/drugs/DB09335 + - https://go.drugbank.com/drugs/DB00685 + - https://en.wikipedia.org/wiki/Trovafloxacin +- directed: true + graph: + _id: DB00696_MESH_D014653_1 + disease: Vascular headache + disease_mesh: MESH:D014653 + drug: ergotamine + drug_mesh: MESH:D004878 + drugbank: DB:DB00696 + links: + - key: positively regulates + source: MESH:D004878 + target: UniProt:P35348 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P08913 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P18825 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P25100 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P35368 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P18089 + - key: positively regulates + source: UniProt:P35348 + target: GO:0042310 + - key: positively regulates + source: UniProt:P08913 + target: GO:0042310 + - key: positively regulates + source: UniProt:P18825 + target: GO:0042310 + - key: positively regulates + source: UniProt:P25100 + target: GO:0042310 + - key: positively regulates + source: UniProt:P35368 + target: GO:0042310 + - key: positively regulates + source: UniProt:P18089 + target: GO:0042310 + - key: negatively correlated with + source: GO:0042310 + target: MESH:D014653 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P28221 + - key: positively regulates + source: UniProt:P28221 + target: GO:0042310 + - key: decreases abundance of + source: UniProt:P28221 + target: MESH:D013373 + - key: positively correlated with + source: MESH:D013373 + target: GO:0006954 + - key: positively correlated with + source: GO:0006954 + target: MESH:D014653 + multigraph: true + nodes: + - id: MESH:D004878 + label: Drug + name: ergotamine + - id: UniProt:P28221 + label: Protein + name: 5-hydroxytryptamine receptor 1D + - id: UniProt:P35348 + label: Protein + name: Alpha-1A adrenergic receptor + - id: UniProt:P08913 + label: Protein + name: Alpha-2A adrenergic receptor + - id: UniProt:P18825 + label: Protein + name: Alpha-2C adrenergic receptor + - id: UniProt:P25100 + label: Protein + name: Alpha-1D adrenergic receptor + - id: UniProt:P35368 + label: Protein + name: Alpha-1B adrenergic receptor + - id: UniProt:P18089 + label: Protein + name: Alpha-2B adrenergic receptor + - id: MESH:D013373 + label: ChemicalSubstance + name: Substance P + - id: GO:0006954 + label: BiologicalProcess + name: inflammatory response + - id: GO:0042310 + label: BiologicalProcess + name: vasoconstriction + - id: MESH:D014653 + label: Disease + name: Vascular headache + reference: + - https://www.ebi.ac.uk/chembl/target_report_card/CHEMBL2095203/ + - https://pubchem.ncbi.nlm.nih.gov/compound/8223#section=Mechanism-of-Action + - https://en.wikipedia.org/wiki/Migraine#Management +- directed: true + graph: + _id: DB00696_MESH_D008881_1 + disease: Migraine + disease_mesh: MESH:D008881 + drug: ergotamine + drug_mesh: MESH:D004878 + drugbank: DB:DB00696 + links: + - key: positively regulates + source: MESH:D004878 + target: UniProt:P35348 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P08913 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P18825 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P25100 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P35368 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P18089 + - key: positively regulates + source: UniProt:P35348 + target: GO:0042310 + - key: positively regulates + source: UniProt:P08913 + target: GO:0042310 + - key: positively regulates + source: UniProt:P18825 + target: GO:0042310 + - key: positively regulates + source: UniProt:P25100 + target: GO:0042310 + - key: positively regulates + source: UniProt:P35368 + target: GO:0042310 + - key: positively regulates + source: UniProt:P18089 + target: GO:0042310 + - key: negatively correlated with + source: GO:0042310 + target: MESH:D008881 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P28221 + - key: positively regulates + source: UniProt:P28221 + target: GO:0042310 + - key: decreases abundance of + source: UniProt:P28221 + target: MESH:D013373 + - key: positively correlated with + source: MESH:D013373 + target: GO:0006954 + - key: positively correlated with + source: GO:0006954 + target: MESH:D008881 + multigraph: true + nodes: + - id: MESH:D004878 + label: Drug + name: ergotamine + - id: UniProt:P28221 + label: Protein + name: 5-hydroxytryptamine receptor 1D + - id: UniProt:P35348 + label: Protein + name: Alpha-1A adrenergic receptor + - id: UniProt:P08913 + label: Protein + name: Alpha-2A adrenergic receptor + - id: UniProt:P18825 + label: Protein + name: Alpha-2C adrenergic receptor + - id: UniProt:P25100 + label: Protein + name: Alpha-1D adrenergic receptor + - id: UniProt:P35368 + label: Protein + name: Alpha-1B adrenergic receptor + - id: UniProt:P18089 + label: Protein + name: Alpha-2B adrenergic receptor + - id: MESH:D013373 + label: ChemicalSubstance + name: Substance P + - id: GO:0006954 + label: BiologicalProcess + name: inflammatory response + - id: GO:0042310 + label: BiologicalProcess + name: vasoconstriction + - id: MESH:D008881 + label: Disease + name: Migraine + reference: + - https://www.ebi.ac.uk/chembl/target_report_card/CHEMBL2095203/ + - https://pubchem.ncbi.nlm.nih.gov/compound/8223#section=Mechanism-of-Action + - https://en.wikipedia.org/wiki/Migraine#Management +- directed: true + graph: + _id: DB00696_MESH_D003027_1 + disease: Cluster headache syndrome + disease_mesh: MESH:D003027 + drug: ergotamine + drug_mesh: MESH:D004878 + drugbank: DB:DB00696 + links: + - key: positively regulates + source: MESH:D004878 + target: UniProt:P35348 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P08913 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P18825 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P25100 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P35368 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P18089 + - key: positively regulates + source: UniProt:P35348 + target: GO:0042310 + - key: positively regulates + source: UniProt:P08913 + target: GO:0042310 + - key: positively regulates + source: UniProt:P18825 + target: GO:0042310 + - key: positively regulates + source: UniProt:P25100 + target: GO:0042310 + - key: positively regulates + source: UniProt:P35368 + target: GO:0042310 + - key: positively regulates + source: UniProt:P18089 + target: GO:0042310 + - key: negatively correlated with + source: GO:0042310 + target: MESH:D003027 + - key: positively regulates + source: MESH:D004878 + target: UniProt:P28221 + - key: positively regulates + source: UniProt:P28221 + target: GO:0042310 + - key: decreases abundance of + source: UniProt:P28221 + target: MESH:D013373 + - key: positively correlated with + source: MESH:D013373 + target: GO:0006954 + - key: positively correlated with + source: GO:0006954 + target: MESH:D003027 + multigraph: true + nodes: + - id: MESH:D004878 + label: Drug + name: ergotamine + - id: UniProt:P28221 + label: Protein + name: 5-hydroxytryptamine receptor 1D + - id: UniProt:P35348 + label: Protein + name: Alpha-1A adrenergic receptor + - id: UniProt:P08913 + label: Protein + name: Alpha-2A adrenergic receptor + - id: UniProt:P18825 + label: Protein + name: Alpha-2C adrenergic receptor + - id: UniProt:P25100 + label: Protein + name: Alpha-1D adrenergic receptor + - id: UniProt:P35368 + label: Protein + name: Alpha-1B adrenergic receptor + - id: UniProt:P18089 + label: Protein + name: Alpha-2B adrenergic receptor + - id: MESH:D013373 + label: ChemicalSubstance + name: Substance P + - id: GO:0006954 + label: BiologicalProcess + name: inflammatory response + - id: GO:0042310 + label: BiologicalProcess + name: vasoconstriction + - id: MESH:D003027 + label: Disease + name: Cluster headache syndrome + reference: + - https://www.ebi.ac.uk/chembl/target_report_card/CHEMBL2095203/ + - https://pubchem.ncbi.nlm.nih.gov/compound/8223#section=Mechanism-of-Action + - https://en.wikipedia.org/wiki/Migraine#Management +- directed: true + graph: + _id: DB00737_MESH_D009041_1 + disease: Motion sickness + disease_mesh: MESH:D009041 + drug: meclozine + drug_mesh: MESH:D008468 + drugbank: DB:DB00737 + links: + - key: decreases activity of + source: MESH:D008468 + target: UniProt:P35367 + - key: positively regulates + source: UniProt:P35367 + target: GO:0007271 + - key: positively correlated with + source: GO:0007271 + target: HP:0002017 + - key: manifestation of + source: HP:0002017 + target: MESH:D009041 + multigraph: true + nodes: + - alt_name: + - Meclizine + id: MESH:D008468 + label: Drug + name: meclozine + - id: UniProt:P35367 + label: Protein + name: Histamine H1 receptor + - id: GO:0007271 + label: BiologicalProcess + name: synaptic transmission, cholinergic + - id: HP:0002017 + label: PhenotypicFeature + name: Nausea and vomiting + - id: MESH:D009041 + label: Disease + name: Motion sickness + reference: + - https://go.drugbank.com/drugs/DB00737 + - https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1623/ +- directed: true + graph: + _id: DB00737_MESH_D014717_1 + disease: Vertigo + disease_mesh: MESH:D014717 + drug: meclozine + drug_mesh: MESH:D008468 + drugbank: DB:DB00737 + links: + - key: decreases activity of + source: MESH:D008468 + target: UniProt:P35367 + - key: positively regulates + source: UniProt:P35367 + target: GO:0007271 + - key: positively correlated with + source: GO:0007271 + target: HP:0002017 + - key: manifestation of + source: HP:0002017 + target: MESH:D014717 + multigraph: true + nodes: + - alt_name: + - Meclizine + id: MESH:D008468 + label: Drug + name: meclozine + - id: UniProt:P35367 + label: Protein + name: Histamine H1 receptor + - id: GO:0007271 + label: BiologicalProcess + name: synaptic transmission, cholinergic + - id: HP:0002017 + label: PhenotypicFeature + name: Nausea and vomiting + - id: MESH:D014717 + label: Disease + name: Vertigo + reference: + - https://go.drugbank.com/drugs/DB00737 + - https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1623/ + - https://en.wikipedia.org/wiki/Vertigo#Signs_and_symptoms + - https://en.wikipedia.org/wiki/Vertigo#Pathophysiology +- directed: true + graph: + _id: DB00985_MESH_D009041_1 + disease: Motion sickness + disease_mesh: MESH:D009041 + drug: dimenhydrinate + drug_mesh: MESH:D004111 + drugbank: DB:DB00985 + links: + - key: decreases activity of + source: MESH:D004111 + target: UniProt:P35367 + - key: positively regulates + source: UniProt:P35367 + target: GO:0007271 + - key: positively correlated with + source: GO:0007271 + target: HP:0002017 + - key: manifestation of + source: HP:0002017 + target: MESH:D009041 + multigraph: true + nodes: + - id: MESH:D004111 + label: Drug + name: dimenhydrinate + - id: UniProt:P35367 + label: Protein + name: Histamine H1 receptor + - id: GO:0007271 + label: BiologicalProcess + name: synaptic transmission, cholinergic + - id: HP:0002017 + label: PhenotypicFeature + name: Nausea and vomiting + - id: MESH:D009041 + label: Disease + name: Motion sickness + reference: + - https://go.drugbank.com/drugs/DB00985 +- directed: true + graph: + _id: DB00985_MESH_D009325_1 + disease: Nausea + disease_mesh: MESH:D009325 + drug: dimenhydrinate + drug_mesh: MESH:D004111 + drugbank: DB:DB00985 + links: + - key: decreases activity of + source: MESH:D004111 + target: UniProt:P35367 + - key: positively regulates + source: UniProt:P35367 + target: GO:0007271 + - key: positively correlated with + source: GO:0007271 + target: MESH:D009325 + multigraph: true + nodes: + - id: MESH:D004111 + label: Drug + name: dimenhydrinate + - id: UniProt:P35367 + label: Protein + name: Histamine H1 receptor + - id: GO:0007271 + label: BiologicalProcess + name: synaptic transmission, cholinergic + - id: MESH:D009325 + label: Disease + name: Nausea + reference: + - https://go.drugbank.com/drugs/DB00985 +- directed: true + graph: + _id: DB00985_MESH_D014717_1 + disease: Vertigo + disease_mesh: MESH:D014717 + drug: dimenhydrinate + drug_mesh: MESH:D004111 + drugbank: DB:DB00985 + links: + - key: decreases activity of + source: MESH:D004111 + target: UniProt:P35367 + - key: positively regulates + source: UniProt:P35367 + target: GO:0007271 + - key: positively correlated with + source: GO:0007271 + target: HP:0002017 + - key: manifestation of + source: HP:0002017 + target: MESH:D014717 + multigraph: true + nodes: + - id: MESH:D004111 + label: Drug + name: dimenhydrinate + - id: UniProt:P35367 + label: Protein + name: Histamine H1 receptor + - id: GO:0007271 + label: BiologicalProcess + name: synaptic transmission, cholinergic + - id: HP:0002017 + label: PhenotypicFeature + name: Nausea and vomiting + - id: MESH:D014717 + label: Disease + name: Vertigo + reference: + - https://go.drugbank.com/drugs/DB00985 +- directed: true + graph: + _id: DB00985_MESH_D014839_1 + disease: Vomiting + disease_mesh: MESH:D014839 + drug: dimenhydrinate + drug_mesh: MESH:D004111 + drugbank: DB:DB00985 + links: + - key: decreases activity of + source: MESH:D004111 + target: UniProt:P35367 + - key: positively regulates + source: UniProt:P35367 + target: GO:0007271 + - key: positively correlated with + source: GO:0007271 + target: MESH:D014839 + multigraph: true + nodes: + - id: MESH:D004111 + label: Drug + name: dimenhydrinate + - id: UniProt:P35367 + label: Protein + name: Histamine H1 receptor + - id: GO:0007271 + label: BiologicalProcess + name: synaptic transmission, cholinergic + - id: MESH:D014839 + label: Disease + name: Vomiting + reference: + - https://go.drugbank.com/drugs/DB00985 +- directed: true + graph: + _id: DB00774_MESH_D004487_1 + disease: Edema + disease_mesh: MESH:D004487 + drug: hydroflumethiazide + drug_mesh: MESH:D006857 + drugbank: DB:DB00774 + links: + - key: decreases activity of + source: MESH:D006857 + target: UniProt:P55017 + - key: positively regulates + source: UniProt:P55017 + target: GO:0070294 + - key: positively correlated with + source: GO:0070294 + target: GO:0003092 + - key: positively correlated with + source: GO:0003092 + target: MESH:D004487 + multigraph: true + nodes: + - id: MESH:D006857 + label: Drug + name: hydroflumethiazide + - id: UniProt:P55017 + label: Protein + name: Solute carrier family 12 member 3 + - id: GO:0070294 + label: BiologicalProcess + name: renal sodium ion absorption + - id: GO:0003092 + label: BiologicalProcess + name: renal water retention + - id: MESH:D004487 + label: Disease + name: Edema + reference: + - https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1763/ +- comment: The hypotensive effects of hydroflumethiazide and other thiazides are + not necessarily due to their diuretic activity (https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2904515/#S1title). + The exact mechanism is yet not fully understood. + directed: true + graph: + _id: DB00774_MESH_D006973_1 + disease: Hypertensive disorder + disease_mesh: MESH:D006973 + drug: hydroflumethiazide + drug_mesh: MESH:D006857 + drugbank: DB:DB00774 + links: + - key: decreases activity of + source: MESH:D006857 + target: UniProt:P55017 + - key: positively regulates + source: UniProt:P55017 + target: GO:0070294 + - key: positively correlated with + source: GO:0070294 + target: GO:0003092 + - key: positively correlated with + source: GO:0003092 + target: HP:0033533 + - key: positively correlated with + source: HP:0033533 + target: HP:0032263 + - key: decreases activity of + source: MESH:D006857 + target: UniProt:P00918 + - key: positively regulates + source: UniProt:P00918 + target: GO:0038166 + - key: positively correlated with + source: GO:0038166 + target: GO:0042310 + - key: positively correlated with + source: GO:0042310 + target: HP:0032263 + - key: positively regulates + source: MESH:D006857 + target: UniProt:Q12791 + - key: positively regulates + source: UniProt:Q12791 + target: GO:0060087 + - key: negatively correlated with + source: GO:0060087 + target: HP:0032263 + - key: manifestation of + source: HP:0032263 + target: MESH:D006973 + multigraph: true + nodes: + - id: MESH:D006857 + label: Drug + name: hydroflumethiazide + - id: UniProt:P55017 + label: Protein + name: Solute carrier family 12 member 3 + - id: GO:0070294 + label: BiologicalProcess + name: renal sodium ion absorption + - id: GO:0003092 + label: BiologicalProcess + name: renal water retention + - id: HP:0033533 + label: PhenotypicFeature + name: Increased cardiac output + - id: UniProt:Q12791 + label: Protein + name: Calcium-activated potassium channel subunit alpha-1 + - id: UniProt:P00918 + label: Protein + name: Carbonic anhydrase 2 + - id: GO:0060087 + label: BiologicalProcess + name: relaxation of vascular associated smooth muscle + - id: GO:0038166 + label: BiologicalProcess + name: angiotensin-activated signaling pathway + - id: GO:0042310 + label: BiologicalProcess + name: vasoconstriction + - id: HP:0032263 + label: PhenotypicFeature + name: Increased blood pressure + - id: MESH:D006973 + label: Disease + name: Hypertensive disorder + reference: + - https://go.drugbank.com/drugs/DB00774#pharmacodynamics + - https://go.drugbank.com/drugs/DB00774#BE0000553 + - https://en.wikipedia.org/wiki/Category:Carbonic_anhydrase_inhibitors + - https://go.drugbank.com/drugs/DB00774#BE0000267 + - https://pubchem.ncbi.nlm.nih.gov/compound/3647#section=Mechanism-of-Action +- comment: Diphenoxylic acid (or difenoxin) is the pharmacologically active metabolite + of diphenoxylate (https://pubmed.ncbi.nlm.nih.gov/3682841/), being 5 times + more potent (https://pharmaceutical-journal.com/article/ld/understanding-the-chemical-basis-of-drug-stability-and-degradation). + Diphenoxylate is rapidly metabolized to difenoxin (https://en.wikipedia.org/wiki/Diphenoxylate#Pharmacology). + It's been suggested that difenoxin may regulate non-opioid receptor pathways + as well (https://go.drugbank.com/drugs/DB01501#mechanism-of-action). + directed: true + graph: + _id: DB01081_MESH_D003967_1 + disease: Diarrhea + disease_mesh: MESH:D003967 + drug: diphenoxylate + drug_mesh: MESH:D004157 + drugbank: DB:DB01081 + links: + - key: has metabolite + source: MESH:D004157 + target: DB:DB01501 + - key: increases activity of + source: DB:DB01501 + target: UniProt:P35372 + - key: negatively regulates + source: UniProt:P35372 + target: GO:0120054 + - key: positively correlated with + source: GO:0120054 + target: MESH:D003967 + multigraph: true + nodes: + - id: MESH:D004157 + label: Drug + name: diphenoxylate + - id: DB:DB01501 + label: ChemicalSubstance + name: Difenoxin + - id: UniProt:P35372 + label: Protein + name: Mu-type opioid receptor + - id: GO:0120054 + label: BiologicalProcess + name: intestinal motility + - id: MESH:D003967 + label: Disease + name: Diarrhea + reference: + - https://go.drugbank.com/drugs/DB01081 + - https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL1201294 +- comment: Note that DrugCentral only lists Congestive heart failure as indications + for this drug, whereas other sources include edema, hypertension e ascites + (https://drugs.ncats.io/drug/MR40VT1L8Z#general). + directed: true + graph: + _id: DB08961_MESH_D006333_1 + disease: Congestive heart failure + disease_mesh: MESH:D006333 + drug: azosemide + drug_mesh: MESH:C018222 + drugbank: DB:DB08961 + links: + - key: negatively regulates + source: MESH:C018222 + target: GO:0003092 + - key: positively correlated with + source: GO:0003092 + target: HP:0000822 + - key: affects risk for + source: HP:0000822 + target: MESH:D006333 + multigraph: true + nodes: + - id: MESH:C018222 + label: Drug + name: azosemide + - id: GO:0003092 + label: BiologicalProcess + name: renal water retention + - id: HP:0000822 + label: PhenotypicFeature + name: Hypertension + - id: MESH:D006333 + label: Disease + name: Congestive heart failure + reference: + - https://go.drugbank.com/drugs/DB08961 +- directed: true + graph: + _id: DB09027_MESH_D019698_1 + disease: Chronic hepatitis C + disease_mesh: MESH:D019698 + drug: ledipasvir + drug_mesh: MESH:C586541 + drugbank: DB:DB09027 + links: + - key: negatively regulates + source: MESH:C586541 + target: UniProt:Q5L478 + - key: positively regulates + source: UniProt:Q5L478 + target: GO:0003968 + - key: in taxon + source: GO:0003968 + target: NCBITaxon:11103 + - key: causes + source: NCBITaxon:11103 + target: MESH:D019698 + multigraph: true + nodes: + - id: MESH:C586541 + label: Drug + name: ledipasvir + - id: UniProt:Q5L478 + label: Protein + name: Nonstructural protein 5A + - id: GO:0003968 + label: MolecularActivity + name: RNA-directed 5'-3' RNA polymerase activity + - id: NCBITaxon:11103 + label: OrganismTaxon + name: Hepacivirus C + - id: MESH:D019698 + label: Disease + name: Chronic hepatitis C + reference: + - https://go.drugbank.com/drugs/DB09027 + - https://en.wikipedia.org/wiki/Ledipasvir#Mechanism_of_action diff --git a/submission.yaml b/submission.yaml index 2ca0bb3a8..8b1378917 100644 --- a/submission.yaml +++ b/submission.yaml @@ -1,1070 +1 @@ -- directed: true - graph: - disease: Urinary tract infectious disease - disease_mesh: MESH:D014552 - drug: alatrofloxacin - drug_mesh: MESH:C106856 - drugbank: DB:DB09335 - links: - - key: has metabolite - source: MESH:C106856 - target: DB:DB00685 - - key: negatively regulates - source: DB:DB00685 - target: InterPro:IPR035516 - - key: positively regulates - source: InterPro:IPR035516 - target: GO:0006265 - - key: in taxon - source: GO:0006265 - target: NCBITaxon:562 - - key: causes - source: NCBITaxon:562 - target: MESH:D014552 - multigraph: true - nodes: - - id: MESH:C106856 - label: Drug - name: alatrofloxacin - - id: DB:DB00685 - label: ChemicalSubstance - name: Trovafloxacin - - id: InterPro:IPR035516 - label: GeneFamily - name: DNA gyrase/topoisomerase IV, subunit A, C-terminal - - id: GO:0006265 - label: BiologicalProcess - name: DNA topological change - - id: NCBITaxon:562 - label: OrganismTaxon - name: Escherichia coli - - id: MESH:D014552 - label: Disease - name: Urinary tract infectious disease - reference: - - https://go.drugbank.com/drugs/DB09335 - - https://go.drugbank.com/drugs/DB00685 - - https://en.wikipedia.org/wiki/Trovafloxacin - comment: Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin). -- directed: true - graph: - disease: Infectious disease of abdomen - disease_mesh: MESH:D059413 - drug: alatrofloxacin - drug_mesh: MESH:C106856 - drugbank: DB:DB09335 - links: - - key: has metabolite - source: MESH:C106856 - target: DB:DB00685 - - key: negatively regulates - source: DB:DB00685 - target: InterPro:IPR035516 - - key: positively regulates - source: InterPro:IPR035516 - target: GO:0006265 - - key: in taxon - source: GO:0006265 - target: NCBITaxon:562 - - key: causes - source: NCBITaxon:562 - target: MESH:D059413 - multigraph: true - nodes: - - id: MESH:C106856 - label: Drug - name: alatrofloxacin - - id: DB:DB00685 - label: ChemicalSubstance - name: Trovafloxacin - - id: InterPro:IPR035516 - label: GeneFamily - name: DNA gyrase/topoisomerase IV, subunit A, C-terminal - - id: GO:0006265 - label: BiologicalProcess - name: DNA topological change - - id: NCBITaxon:562 - label: OrganismTaxon - name: Escherichia coli - - id: MESH:D059413 - label: Disease - name: Infectious disease of abdomen - reference: - - https://go.drugbank.com/drugs/DB09335 - - https://go.drugbank.com/drugs/DB00685 - - https://en.wikipedia.org/wiki/Trovafloxacin - comment: Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin). -- directed: true - graph: - disease: Chlamydial pneumonia - disease_mesh: MESH:D061387 - drug: alatrofloxacin - drug_mesh: MESH:C106856 - drugbank: DB:DB09335 - links: - - key: has metabolite - source: MESH:C106856 - target: DB:DB00685 - - key: negatively regulates - source: DB:DB00685 - target: InterPro:IPR035516 - - key: positively regulates - source: InterPro:IPR035516 - target: GO:0006265 - - key: in taxon - source: GO:0006265 - target: NCBITaxon:83558 - - key: causes - source: NCBITaxon:83558 - target: MESH:D061387 - multigraph: true - nodes: - - id: MESH:C106856 - label: Drug - name: alatrofloxacin - - id: DB:DB00685 - label: ChemicalSubstance - name: Trovafloxacin - - id: InterPro:IPR035516 - label: GeneFamily - name: DNA gyrase/topoisomerase IV, subunit A, C-terminal - - id: GO:0006265 - label: BiologicalProcess - name: DNA topological change - - id: NCBITaxon:83558 - label: OrganismTaxon - name: Chlamydia pneumoniae - - id: MESH:D061387 - label: Disease - name: Chlamydial pneumonia - reference: - - https://go.drugbank.com/drugs/DB09335 - - https://go.drugbank.com/drugs/DB00685 - - https://en.wikipedia.org/wiki/Trovafloxacin - comment: Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin). -- directed: true - graph: - disease: Pneumonia due to Streptococcus - disease_mesh: MESH:D011018 - drug: alatrofloxacin - drug_mesh: MESH:C106856 - drugbank: DB:DB09335 - links: - - key: has metabolite - source: MESH:C106856 - target: DB:DB00685 - - key: negatively regulates - source: DB:DB00685 - target: InterPro:IPR035516 - - key: positively regulates - source: InterPro:IPR035516 - target: GO:0006265 - - key: in taxon - source: GO:0006265 - target: NCBITaxon:1313 - - key: causes - source: NCBITaxon:1313 - target: MESH:D011018 - multigraph: true - nodes: - - id: MESH:C106856 - label: Drug - name: alatrofloxacin - - id: DB:DB00685 - label: ChemicalSubstance - name: Trovafloxacin - - id: InterPro:IPR035516 - label: GeneFamily - name: DNA gyrase/topoisomerase IV, subunit A, C-terminal - - id: GO:0006265 - label: BiologicalProcess - name: DNA topological change - - id: NCBITaxon:1313 - label: OrganismTaxon - name: Streptococcus pneumoniae - - id: MESH:D011018 - label: Disease - name: Pneumonia due to Streptococcus - reference: - - https://go.drugbank.com/drugs/DB09335 - - https://go.drugbank.com/drugs/DB00685 - - https://en.wikipedia.org/wiki/Trovafloxacin - comment: Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin). -- directed: true - graph: - disease: Staphylococcal pneumonia - disease_mesh: MESH:D011023 - drug: alatrofloxacin - drug_mesh: MESH:C106856 - drugbank: DB:DB09335 - links: - - key: has metabolite - source: MESH:C106856 - target: DB:DB00685 - - key: negatively regulates - source: DB:DB00685 - target: InterPro:IPR035516 - - key: positively regulates - source: InterPro:IPR035516 - target: GO:0006265 - - key: in taxon - source: GO:0006265 - target: NCBITaxon:1280 - - key: causes - source: NCBITaxon:1280 - target: MESH:D011023 - multigraph: true - nodes: - - id: MESH:C106856 - label: Drug - name: alatrofloxacin - - id: DB:DB00685 - label: ChemicalSubstance - name: Trovafloxacin - - id: InterPro:IPR035516 - label: GeneFamily - name: DNA gyrase/topoisomerase IV, subunit A, C-terminal - - id: GO:0006265 - label: BiologicalProcess - name: DNA topological change - - id: NCBITaxon:1280 - label: OrganismTaxon - name: Staphylococcus aureus - - id: MESH:D011023 - label: Disease - name: Staphylococcal pneumonia - reference: - - https://go.drugbank.com/drugs/DB09335 - - https://go.drugbank.com/drugs/DB00685 - - https://en.wikipedia.org/wiki/Trovafloxacin - comment: Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin). -- directed: true - graph: - disease: Pneumonia due to Mycoplasma pneumoniae - disease_mesh: MESH:D011019 - drug: alatrofloxacin - drug_mesh: MESH:C106856 - drugbank: DB:DB09335 - links: - - key: has metabolite - source: MESH:C106856 - target: DB:DB00685 - - key: negatively regulates - source: DB:DB00685 - target: InterPro:IPR035516 - - key: positively regulates - source: InterPro:IPR035516 - target: GO:0006265 - - key: in taxon - source: GO:0006265 - target: NCBITaxon:2104 - - key: causes - source: NCBITaxon:2104 - target: MESH:D011019 - multigraph: true - nodes: - - id: MESH:C106856 - label: Drug - name: alatrofloxacin - - id: DB:DB00685 - label: ChemicalSubstance - name: Trovafloxacin - - id: InterPro:IPR035516 - label: GeneFamily - name: DNA gyrase/topoisomerase IV, subunit A, C-terminal - - id: GO:0006265 - label: BiologicalProcess - name: DNA topological change - - id: NCBITaxon:2104 - label: OrganismTaxon - name: Mycoplasma pneumoniae - - id: MESH:D011019 - label: Disease - name: Pneumonia due to Mycoplasma pneumoniae - reference: - - https://go.drugbank.com/drugs/DB09335 - - https://go.drugbank.com/drugs/DB00685 - - https://en.wikipedia.org/wiki/Trovafloxacin - comment: Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin). -- directed: true - graph: - disease: Vascular headache - disease_mesh: MESH:D014653 - drug: ergotamine - drug_mesh: MESH:D004878 - drugbank: DB:DB00696 - links: - - key: positively regulates - source: MESH:D004878 - target: UniProt:P35348 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P08913 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P18825 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P25100 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P35368 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P18089 - - key: positively regulates - source: UniProt:P35348 - target: GO:0042310 - - key: positively regulates - source: UniProt:P08913 - target: GO:0042310 - - key: positively regulates - source: UniProt:P18825 - target: GO:0042310 - - key: positively regulates - source: UniProt:P25100 - target: GO:0042310 - - key: positively regulates - source: UniProt:P35368 - target: GO:0042310 - - key: positively regulates - source: UniProt:P18089 - target: GO:0042310 - - key: negatively correlated with - source: GO:0042310 - target: MESH:D014653 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P28221 - - key: positively regulates - source: UniProt:P28221 - target: GO:0042310 - - key: decreases abundance of - source: UniProt:P28221 - target: MESH:D013373 - - key: positively correlated with - source: MESH:D013373 - target: GO:0006954 - - key: positively correlated with - source: GO:0006954 - target: MESH:D014653 - multigraph: true - nodes: - - id: MESH:D004878 - label: Drug - name: ergotamine - - id: UniProt:P28221 - label: Protein - name: 5-hydroxytryptamine receptor 1D - - id: UniProt:P35348 - label: Protein - name: Alpha-1A adrenergic receptor - - id: UniProt:P08913 - label: Protein - name: Alpha-2A adrenergic receptor - - id: UniProt:P18825 - label: Protein - name: Alpha-2C adrenergic receptor - - id: UniProt:P25100 - label: Protein - name: Alpha-1D adrenergic receptor - - id: UniProt:P35368 - label: Protein - name: Alpha-1B adrenergic receptor - - id: UniProt:P18089 - label: Protein - name: Alpha-2B adrenergic receptor - - id: MESH:D013373 - label: ChemicalSubstance - name: Substance P - - id: GO:0006954 - label: BiologicalProcess - name: inflammatory response - - id: GO:0042310 - label: BiologicalProcess - name: vasoconstriction - - id: MESH:D014653 - label: Disease - name: Vascular headache - reference: - - https://www.ebi.ac.uk/chembl/target_report_card/CHEMBL2095203/ - - https://pubchem.ncbi.nlm.nih.gov/compound/8223#section=Mechanism-of-Action - - https://en.wikipedia.org/wiki/Migraine#Management -- directed: true - graph: - disease: Migraine - disease_mesh: MESH:D008881 - drug: ergotamine - drug_mesh: MESH:D004878 - drugbank: DB:DB00696 - links: - - key: positively regulates - source: MESH:D004878 - target: UniProt:P35348 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P08913 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P18825 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P25100 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P35368 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P18089 - - key: positively regulates - source: UniProt:P35348 - target: GO:0042310 - - key: positively regulates - source: UniProt:P08913 - target: GO:0042310 - - key: positively regulates - source: UniProt:P18825 - target: GO:0042310 - - key: positively regulates - source: UniProt:P25100 - target: GO:0042310 - - key: positively regulates - source: UniProt:P35368 - target: GO:0042310 - - key: positively regulates - source: UniProt:P18089 - target: GO:0042310 - - key: negatively correlated with - source: GO:0042310 - target: MESH:D008881 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P28221 - - key: positively regulates - source: UniProt:P28221 - target: GO:0042310 - - key: decreases abundance of - source: UniProt:P28221 - target: MESH:D013373 - - key: positively correlated with - source: MESH:D013373 - target: GO:0006954 - - key: positively correlated with - source: GO:0006954 - target: MESH:D008881 - multigraph: true - nodes: - - id: MESH:D004878 - label: Drug - name: ergotamine - - id: UniProt:P28221 - label: Protein - name: 5-hydroxytryptamine receptor 1D - - id: UniProt:P35348 - label: Protein - name: Alpha-1A adrenergic receptor - - id: UniProt:P08913 - label: Protein - name: Alpha-2A adrenergic receptor - - id: UniProt:P18825 - label: Protein - name: Alpha-2C adrenergic receptor - - id: UniProt:P25100 - label: Protein - name: Alpha-1D adrenergic receptor - - id: UniProt:P35368 - label: Protein - name: Alpha-1B adrenergic receptor - - id: UniProt:P18089 - label: Protein - name: Alpha-2B adrenergic receptor - - id: MESH:D013373 - label: ChemicalSubstance - name: Substance P - - id: GO:0006954 - label: BiologicalProcess - name: inflammatory response - - id: GO:0042310 - label: BiologicalProcess - name: vasoconstriction - - id: MESH:D008881 - label: Disease - name: Migraine - reference: - - https://www.ebi.ac.uk/chembl/target_report_card/CHEMBL2095203/ - - https://pubchem.ncbi.nlm.nih.gov/compound/8223#section=Mechanism-of-Action - - https://en.wikipedia.org/wiki/Migraine#Management -- directed: true - graph: - disease: Cluster headache syndrome - disease_mesh: MESH:D003027 - drug: ergotamine - drug_mesh: MESH:D004878 - drugbank: DB:DB00696 - links: - - key: positively regulates - source: MESH:D004878 - target: UniProt:P35348 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P08913 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P18825 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P25100 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P35368 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P18089 - - key: positively regulates - source: UniProt:P35348 - target: GO:0042310 - - key: positively regulates - source: UniProt:P08913 - target: GO:0042310 - - key: positively regulates - source: UniProt:P18825 - target: GO:0042310 - - key: positively regulates - source: UniProt:P25100 - target: GO:0042310 - - key: positively regulates - source: UniProt:P35368 - target: GO:0042310 - - key: positively regulates - source: UniProt:P18089 - target: GO:0042310 - - key: negatively correlated with - source: GO:0042310 - target: MESH:D003027 - - key: positively regulates - source: MESH:D004878 - target: UniProt:P28221 - - key: positively regulates - source: UniProt:P28221 - target: GO:0042310 - - key: decreases abundance of - source: UniProt:P28221 - target: MESH:D013373 - - key: positively correlated with - source: MESH:D013373 - target: GO:0006954 - - key: positively correlated with - source: GO:0006954 - target: MESH:D003027 - multigraph: true - nodes: - - id: MESH:D004878 - label: Drug - name: ergotamine - - id: UniProt:P28221 - label: Protein - name: 5-hydroxytryptamine receptor 1D - - id: UniProt:P35348 - label: Protein - name: Alpha-1A adrenergic receptor - - id: UniProt:P08913 - label: Protein - name: Alpha-2A adrenergic receptor - - id: UniProt:P18825 - label: Protein - name: Alpha-2C adrenergic receptor - - id: UniProt:P25100 - label: Protein - name: Alpha-1D adrenergic receptor - - id: UniProt:P35368 - label: Protein - name: Alpha-1B adrenergic receptor - - id: UniProt:P18089 - label: Protein - name: Alpha-2B adrenergic receptor - - id: MESH:D013373 - label: ChemicalSubstance - name: Substance P - - id: GO:0006954 - label: BiologicalProcess - name: inflammatory response - - id: GO:0042310 - label: BiologicalProcess - name: vasoconstriction - - id: MESH:D003027 - label: Disease - name: Cluster headache syndrome - reference: - - https://www.ebi.ac.uk/chembl/target_report_card/CHEMBL2095203/ - - https://pubchem.ncbi.nlm.nih.gov/compound/8223#section=Mechanism-of-Action - - https://en.wikipedia.org/wiki/Migraine#Management -- directed: true - graph: - disease: Motion sickness - disease_mesh: MESH:D009041 - drug: meclozine - drug_mesh: MESH:D008468 - drugbank: DB:DB00737 - links: - - key: decreases activity of - source: MESH:D008468 - target: UniProt:P35367 - - key: positively regulates - source: UniProt:P35367 - target: GO:0007271 - - key: positively correlated with - source: GO:0007271 - target: HP:0002017 - - key: manifestation of - source: HP:0002017 - target: MESH:D009041 - multigraph: true - nodes: - - id: MESH:D008468 - label: Drug - name: meclozine - alt_name: - - Meclizine - - id: UniProt:P35367 - label: Protein - name: Histamine H1 receptor - - id: GO:0007271 - label: BiologicalProcess - name: synaptic transmission, cholinergic - - id: HP:0002017 - label: PhenotypicFeature - name: Nausea and vomiting - - id: MESH:D009041 - label: Disease - name: Motion sickness - reference: - - https://go.drugbank.com/drugs/DB00737 - - https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1623/ -- directed: true - graph: - disease: Vertigo - disease_mesh: MESH:D014717 - drug: meclozine - drug_mesh: MESH:D008468 - drugbank: DB:DB00737 - links: - - key: decreases activity of - source: MESH:D008468 - target: UniProt:P35367 - - key: positively regulates - source: UniProt:P35367 - target: GO:0007271 - - key: positively correlated with - source: GO:0007271 - target: HP:0002017 - - key: manifestation of - source: HP:0002017 - target: MESH:D014717 - multigraph: true - nodes: - - id: MESH:D008468 - label: Drug - name: meclozine - alt_name: - - Meclizine - - id: UniProt:P35367 - label: Protein - name: Histamine H1 receptor - - id: GO:0007271 - label: BiologicalProcess - name: synaptic transmission, cholinergic - - id: HP:0002017 - label: PhenotypicFeature - name: Nausea and vomiting - - id: MESH:D014717 - label: Disease - name: Vertigo - reference: - - https://go.drugbank.com/drugs/DB00737 - - https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1623/ - - https://en.wikipedia.org/wiki/Vertigo#Signs_and_symptoms - - https://en.wikipedia.org/wiki/Vertigo#Pathophysiology -- directed: true - graph: - disease: Motion sickness - disease_mesh: MESH:D009041 - drug: dimenhydrinate - drug_mesh: MESH:D004111 - drugbank: DB:DB00985 - links: - - key: decreases activity of - source: MESH:D004111 - target: UniProt:P35367 - - key: positively regulates - source: UniProt:P35367 - target: GO:0007271 - - key: positively correlated with - source: GO:0007271 - target: HP:0002017 - - key: manifestation of - source: HP:0002017 - target: MESH:D009041 - multigraph: true - nodes: - - id: MESH:D004111 - label: Drug - name: dimenhydrinate - - id: UniProt:P35367 - label: Protein - name: Histamine H1 receptor - - id: GO:0007271 - label: BiologicalProcess - name: synaptic transmission, cholinergic - - id: HP:0002017 - label: PhenotypicFeature - name: Nausea and vomiting - - id: MESH:D009041 - label: Disease - name: Motion sickness - reference: https://go.drugbank.com/drugs/DB00985 -- directed: true - graph: - disease: Nausea - disease_mesh: MESH:D009325 - drug: dimenhydrinate - drug_mesh: MESH:D004111 - drugbank: DB:DB00985 - links: - - key: decreases activity of - source: MESH:D004111 - target: UniProt:P35367 - - key: positively regulates - source: UniProt:P35367 - target: GO:0007271 - - key: positively correlated with - source: GO:0007271 - target: MESH:D009325 - multigraph: true - nodes: - - id: MESH:D004111 - label: Drug - name: dimenhydrinate - - id: UniProt:P35367 - label: Protein - name: Histamine H1 receptor - - id: GO:0007271 - label: BiologicalProcess - name: synaptic transmission, cholinergic - - id: MESH:D009325 - label: Disease - name: Nausea - reference: https://go.drugbank.com/drugs/DB00985 -- directed: true - graph: - disease: Vertigo - disease_mesh: MESH:D014717 - drug: dimenhydrinate - drug_mesh: MESH:D004111 - drugbank: DB:DB00985 - links: - - key: decreases activity of - source: MESH:D004111 - target: UniProt:P35367 - - key: positively regulates - source: UniProt:P35367 - target: GO:0007271 - - key: positively correlated with - source: GO:0007271 - target: HP:0002017 - - key: manifestation of - source: HP:0002017 - target: MESH:D014717 - multigraph: true - nodes: - - id: MESH:D004111 - label: Drug - name: dimenhydrinate - - id: UniProt:P35367 - label: Protein - name: Histamine H1 receptor - - id: GO:0007271 - label: BiologicalProcess - name: synaptic transmission, cholinergic - - id: HP:0002017 - label: PhenotypicFeature - name: Nausea and vomiting - - id: MESH:D014717 - label: Disease - name: Vertigo - reference: https://go.drugbank.com/drugs/DB00985 -- directed: true - graph: - disease: Vomiting - disease_mesh: MESH:D014839 - drug: dimenhydrinate - drug_mesh: MESH:D004111 - drugbank: DB:DB00985 - links: - - key: decreases activity of - source: MESH:D004111 - target: UniProt:P35367 - - key: positively regulates - source: UniProt:P35367 - target: GO:0007271 - - key: positively correlated with - source: GO:0007271 - target: MESH:D014839 - multigraph: true - nodes: - - id: MESH:D004111 - label: Drug - name: dimenhydrinate - - id: UniProt:P35367 - label: Protein - name: Histamine H1 receptor - - id: GO:0007271 - label: BiologicalProcess - name: synaptic transmission, cholinergic - - id: MESH:D014839 - label: Disease - name: Vomiting - reference: https://go.drugbank.com/drugs/DB00985 -- directed: true - graph: - disease: Edema - disease_mesh: MESH:D004487 - drug: hydroflumethiazide - drug_mesh: MESH:D006857 - drugbank: DB:DB00774 - links: - - key: decreases activity of - source: MESH:D006857 - target: UniProt:P55017 - - key: positively regulates - source: UniProt:P55017 - target: GO:0070294 - - key: positively correlated with - source: GO:0070294 - target: GO:0003092 - - key: positively correlated with - source: GO:0003092 - target: MESH:D004487 - multigraph: true - nodes: - - id: MESH:D006857 - label: Drug - name: hydroflumethiazide - - id: UniProt:P55017 - label: Protein - name: Solute carrier family 12 member 3 - - id: GO:0070294 - label: BiologicalProcess - name: renal sodium ion absorption - - id: GO:0003092 - label: BiologicalProcess - name: renal water retention - - id: MESH:D004487 - label: Disease - name: Edema - reference: https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1763/ -- directed: true - graph: - disease: Hypertensive disorder - disease_mesh: MESH:D006973 - drug: hydroflumethiazide - drug_mesh: MESH:D006857 - drugbank: DB:DB00774 - links: - - key: decreases activity of - source: MESH:D006857 - target: UniProt:P55017 - - key: positively regulates - source: UniProt:P55017 - target: GO:0070294 - - key: positively correlated with - source: GO:0070294 - target: GO:0003092 - - key: positively correlated with - source: GO:0003092 - target: HP:0033533 - - key: positively correlated with - source: HP:0033533 - target: HP:0032263 - - key: decreases activity of - source: MESH:D006857 - target: UniProt:P00918 - - key: positively regulates - source: UniProt:P00918 - target: GO:0038166 - - key: positively correlated with - source: GO:0038166 - target: GO:0042310 - - key: positively correlated with - source: GO:0042310 - target: HP:0032263 - - key: positively regulates - source: MESH:D006857 - target: UniProt:Q12791 - - key: positively regulates - source: UniProt:Q12791 - target: GO:0060087 - - key: negatively correlated with - source: GO:0060087 - target: HP:0032263 - - key: manifestation of - source: HP:0032263 - target: MESH:D006973 - multigraph: true - nodes: - - id: MESH:D006857 - label: Drug - name: hydroflumethiazide - - id: UniProt:P55017 - label: Protein - name: Solute carrier family 12 member 3 - - id: GO:0070294 - label: BiologicalProcess - name: renal sodium ion absorption - - id: GO:0003092 - label: BiologicalProcess - name: renal water retention - - id: HP:0033533 - label: PhenotypicFeature - name: Increased cardiac output - - id: UniProt:Q12791 - label: Protein - name: Calcium-activated potassium channel subunit alpha-1 - - id: UniProt:P00918 - label: Protein - name: Carbonic anhydrase 2 - - id: GO:0060087 - label: BiologicalProcess - name: relaxation of vascular associated smooth muscle - - id: GO:0038166 - label: BiologicalProcess - name: angiotensin-activated signaling pathway - - id: GO:0042310 - label: BiologicalProcess - name: vasoconstriction - - id: HP:0032263 - label: PhenotypicFeature - name: Increased blood pressure - - id: MESH:D006973 - label: Disease - name: Hypertensive disorder - reference: - - https://go.drugbank.com/drugs/DB00774#pharmacodynamics - - https://go.drugbank.com/drugs/DB00774#BE0000553 - - https://en.wikipedia.org/wiki/Category:Carbonic_anhydrase_inhibitors - - https://go.drugbank.com/drugs/DB00774#BE0000267 - - https://pubchem.ncbi.nlm.nih.gov/compound/3647#section=Mechanism-of-Action - comment: The hypotensive effects of hydroflumethiazide and other thiazides are not necessarily due to their diuretic activity (https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2904515/#S1title). The exact mechanism is yet not fully understood. -- directed: true - graph: - disease: Diarrhea - disease_mesh: MESH:D003967 - drug: diphenoxylate - drug_mesh: MESH:D004157 - drugbank: DB:DB01081 - links: - - key: has metabolite - source: MESH:D004157 - target: DB:DB01501 - - key: increases activity of - source: DB:DB01501 - target: UniProt:P35372 - - key: negatively regulates - source: UniProt:P35372 - target: GO:0120054 - - key: positively correlated with - source: GO:0120054 - target: MESH:D003967 - multigraph: true - nodes: - - id: MESH:D004157 - label: Drug - name: diphenoxylate - - id: DB:DB01501 - label: ChemicalSubstance - name: Difenoxin - - id: UniProt:P35372 - label: Protein - name: Mu-type opioid receptor - - id: GO:0120054 - label: BiologicalProcess - name: intestinal motility - - id: MESH:D003967 - label: Disease - name: Diarrhea - reference: - - https://go.drugbank.com/drugs/DB01081 - - https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL1201294 - comment: Diphenoxylic acid (or difenoxin) is the pharmacologically active metabolite of diphenoxylate (https://pubmed.ncbi.nlm.nih.gov/3682841/), being 5 times more potent (https://pharmaceutical-journal.com/article/ld/understanding-the-chemical-basis-of-drug-stability-and-degradation). Diphenoxylate is rapidly metabolized to difenoxin (https://en.wikipedia.org/wiki/Diphenoxylate#Pharmacology). It's been suggested that difenoxin may regulate non-opioid receptor pathways as well (https://go.drugbank.com/drugs/DB01501#mechanism-of-action). -- directed: true - graph: - disease: Congestive heart failure - disease_mesh: MESH:D006333 - drug: azosemide - drug_mesh: MESH:C018222 - drugbank: DB:DB08961 - links: - - key: negatively regulates - source: MESH:C018222 - target: GO:0003092 - - key: positively correlated with - source: GO:0003092 - target: HP:0000822 - - key: affects risk for - source: HP:0000822 - target: MESH:D006333 - multigraph: true - nodes: - - id: MESH:C018222 - label: Drug - name: azosemide - - id: GO:0003092 - label: BiologicalProcess - name: renal water retention - - id: HP:0000822 - label: PhenotypicFeature - name: Hypertension - - id: MESH:D006333 - label: Disease - name: Congestive heart failure - reference: https://go.drugbank.com/drugs/DB08961 - comment: Note that DrugCentral only lists Congestive heart failure as indications for this drug, whereas other sources include edema, hypertension e ascites (https://drugs.ncats.io/drug/MR40VT1L8Z#general). -- directed: true - graph: - disease: Chronic hepatitis C - disease_mesh: MESH:D019698 - drug: ledipasvir - drug_mesh: MESH:C586541 - drugbank: DB:DB09027 - links: - - key: negatively regulates - source: MESH:C586541 - target: UniProt:Q5L478 - - key: positively regulates - source: UniProt:Q5L478 - target: GO:0003968 - - key: in taxon - source: GO:0003968 - target: NCBITaxon:11103 - - key: causes - source: NCBITaxon:11103 - target: MESH:D019698 - multigraph: true - nodes: - - id: MESH:C586541 - label: Drug - name: ledipasvir - - id: UniProt:Q5L478 - label: Protein - name: Nonstructural protein 5A - - id: GO:0003968 - label: MolecularActivity - name: RNA-directed 5'-3' RNA polymerase activity - - id: NCBITaxon:11103 - label: OrganismTaxon - name: Hepacivirus C - - id: MESH:D019698 - label: Disease - name: Chronic hepatitis C - reference: - - https://go.drugbank.com/drugs/DB09027 - - https://en.wikipedia.org/wiki/Ledipasvir#Mechanism_of_action + From 2472d1a8c2bb7240acfb817180286982ff2efddc Mon Sep 17 00:00:00 2001 From: dede2021 <77809650+dede2021@users.noreply.github.com> Date: Fri, 4 Jun 2021 22:12:31 +0100 Subject: [PATCH 2/5] Issues on paths that can't be fixed ...so they need to be deleted. Brand new paths will follow. DB00994_MESH_D006501_2 DB00994_MESH_D010032_2 DB00994_MESH_D014605_2 DB00994_MESH_D014552_2 DB00484_MESH_D009798_3 DB00484_MESH_D005902_3 DB00484_MESH_D006973_1 DB06718_MESH_D041781_1 --- utils/deprecated_ids.txt | 9 +++++++++ 1 file changed, 9 insertions(+) diff --git a/utils/deprecated_ids.txt b/utils/deprecated_ids.txt index d3bb30200..1d92999c6 100644 --- a/utils/deprecated_ids.txt +++ b/utils/deprecated_ids.txt @@ -33,6 +33,15 @@ DB01185_MESH_D003456_1 DB01185_MESH_D005058_1 DB01185_MESH_D009224_1 DB01185_MESH_D009634_1 +DB00994_MESH_D006501_2 +DB00994_MESH_D010032_2 +DB00994_MESH_D014605_2 +DB00994_MESH_D014552_2 +DB00484_MESH_D009798_3 +DB00484_MESH_D005902_3 +DB00484_MESH_D006973_1 +DB06718_MESH_D041781_1 + DB01185_MESH_D011628_2 DB01185_MESH_D007713_2 DB01185_MESH_D003456_2 From f61ae11cbeed39f7f29b50475b4b40dfb869c351 Mon Sep 17 00:00:00 2001 From: AnnaTanska <65995337+TanskaAnnna@users.noreply.github.com> Date: Sun, 6 Jun 2021 10:17:57 +0100 Subject: [PATCH 3/5] Group 100 --- submission.yaml | 975 +++++++++++++++++++++++++++++++++++++++++++++++- 1 file changed, 974 insertions(+), 1 deletion(-) diff --git a/submission.yaml b/submission.yaml index 8b1378917..ddaadda1a 100644 --- a/submission.yaml +++ b/submission.yaml @@ -1 +1,974 @@ - +- directed: true + graph: + disease: Myocardial infarction + disease_mesh: MESH:D009203 + drug: atenolol + drug_mesh: MESH:D001262 + drugbank: DB:DB00335 + links: + - key: decreases activity of + source: MESH:D001262 + target: UniProt:P08588 + - key: positively regulates + source: UniProt:P08588 + target: UniProt:P00797 + - key: positively regulates + source: UniProt:P08588 + target: GO:0042310 + - key: positively regulates + source: UniProt:P00797 + target: GO:0042310 + - key: positively correlated with + source: GO:0042310 + target: HP:0032263 + - key: affects risk for + source: HP:0032263 + target: MESH:D009203 + - key: affects risk for + source: GO:0042310 + target: HP:0033401 + - key: located in + source: HP:0033401 + target: UBERON:0000948 + - key: location of + source: UBERON:0000948 + target: MESH:D009203 + multigraph: true + nodes: + - id: MESH:D001262 + label: Drug + name: Atenolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P00797 + label: Protein + name: Renin + - id: GO:0042310 + label: BiologicalProcess + name: Vasoconstriction + - id: HP:0032263 + label: PhenotypicFeature + name: Increased blood pressure + - id: HP:0033401 + label: PhenotypicFeature + name: Tissue ischemia + - id: UBERON:0000948 + label: GrossAnatomicalStructure + name: Heart + - id: MESH:D009203 + label: Disease + name: Myocardial infarction + reference: + - https://go.drugbank.com/drugs/DB00335 + - https://en.wikipedia.org/wiki/Atenolol +- directed: true + graph: + disease: Angina pectoris + disease_mesh: MESH:D000787 + drug: atenolol + drug_mesh: MESH:D001262 + drugbank: DB:DB00335 + links: + - key: decreases activity of + source: MESH:D001262 + target: UniProt:P08588 + - key: positively regulates + source: UniProt:P08588 + target: UniProt:P00797 + - key: positively regulates + source: UniProt:P08588 + target: GO:0042310 + - key: positively regulates + source: UniProt:P00797 + target: GO:0042310 + - key: negatively correlated with + source: GO:0042310 + target: GO:0060087 + - key: ameliorates + source: GO:0060087 + target: MESH:D000787 + multigraph: true + nodes: + - id: MESH:D001262 + label: Drug + name: Atenolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P00797 + label: Protein + name: Renin + - id: GO:0042310 + label: BiologicalProcess + name: Vasoconstriction + - id: GO:0060087 + label: BiologicalProcess + name: Relaxation of vascular associated smooth muscle + - id: MESH:D000787 + label: Disease + name: Angina pectoris + reference: + - https://go.drugbank.com/drugs/DB00335 + - https://en.wikipedia.org/wiki/Atenolol +- directed: true + graph: + disease: Hypertensive disorder + disease_mesh: MESH:D006973 + drug: atenolol + drug_mesh: MESH:D001262 + drugbank: DB:DB00335 + links: + - key: decreases activity of + source: MESH:D001262 + target: UniProt:P08588 + - key: positively regulates + source: UniProt:P08588 + target: UniProt:P00797 + - key: positively regulates + source: UniProt:P08588 + target: GO:0042310 + - key: positively regulates + source: UniProt:P00797 + target: GO:0042310 + - key: affects risk for + source: GO:0042310 + target: MESH:D006973 + multigraph: true + nodes: + - id: MESH:D001262 + label: Drug + name: Atenolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P00797 + label: Protein + name: Renin + - id: GO:0042310 + label: BiologicalProcess + name: Vasoconstriction + - id: MESH:D006973 + label: Disease + name: Hypertensive disorder + reference: + - https://go.drugbank.com/drugs/DB00335 + - https://en.wikipedia.org/wiki/Atenolol +- directed: true + graph: + disease: Allergic rhinitis + disease_mesh: MESH:D065631 + drug: olopatadine + drug_mesh: MESH:D000069605 + drugbank: DB:DB00768 + links: + - key: decreases activity of + source: MESH:D000069605 + target: UniProt:P35367 + - key: negatively regulates + source: MESH:D000069605 + target: GO:0043303 + - key: increases abundance of + source: GO:0043303 + target: MESH:D006632 + - key: causes + source: MESH:D006632 + target: GO:0071420 + - key: participates in + source: UniProt:P35367 + target: GO:0004969 + - key: participates in + source: GO:0004969 + target: GO:0071420 + - key: positively correlated with + source: GO:0071420 + target: GO:0006954 + - key: causes + source: GO:0006954 + target: MESH:D065631 + multigraph: true + nodes: + - id: MESH:D000069605 + label: Drug + name: Olopatadine + - id: UniProt:P35367 + label: Protein + name: Histamine H1 receptor + - id: GO:0004969 + label: MolecularActivity + name: Histamine receptor activity + - id: MESH:D006632 + label: ChemicalSubstance + name: Histamine + - id: GO:0071420 + label: BiologicalProcess + name: Cellular response to histamine + - id: GO:0006954 + label: BiologicalProcess + name: Inflammatory response + - id: GO:0043303 + label: BiologicalProcess + name: Mast cell degranulation + - id: MESH:D065631 + label: Disease + name: Allergic rhinitis + reference: + - https://en.wikipedia.org/wiki/Antihistamine#H1-antihistamines + - https://go.drugbank.com/drugs/DB00768 +- directed: true + graph: + disease: Seasonal allergic rhinitis + disease_mesh: MESH:D006255 + drug: olopatadine + drug_mesh: MESH:D000069605 + drugbank: DB:DB00768 + links: + - key: decreases activity of + source: MESH:D000069605 + target: UniProt:P35367 + - key: negatively regulates + source: MESH:D000069605 + target: GO:0043303 + - key: increases abundance of + source: GO:0043303 + target: MESH:D006632 + - key: causes + source: MESH:D006632 + target: GO:0071420 + - key: participates in + source: UniProt:P35367 + target: GO:0004969 + - key: participates in + source: GO:0004969 + target: GO:0071420 + - key: positively correlated with + source: GO:0071420 + target: GO:0006954 + - key: causes + source: GO:0006954 + target: MESH:D006255 + multigraph: true + nodes: + - id: MESH:D000069605 + label: Drug + name: Olopatadine + - id: UniProt:P35367 + label: Protein + name: Histamine H1 receptor + - id: GO:0004969 + label: MolecularActivity + name: Histamine receptor activity + - id: MESH:D006632 + label: ChemicalSubstance + name: Histamine + - id: GO:0071420 + label: BiologicalProcess + name: Cellular response to histamine + - id: GO:0006954 + label: BiologicalProcess + name: Inflammatory response + - id: GO:0043303 + label: BiologicalProcess + name: Mast cell degranulation + - id: MESH:D006255 + label: Disease + name: Seasonal allergic rhinitis + reference: + - https://en.wikipedia.org/wiki/Antihistamine#H1-antihistamines + - https://go.drugbank.com/drugs/DB00768 +- directed: true + graph: + disease: Allergic conjunctivitis + disease_mesh: MESH:D003233 + drug: olopatadine + drug_mesh: MESH:D000069605 + drugbank: DB:DB00768 + links: + - key: decreases activity of + source: MESH:D000069605 + target: UniProt:P35367 + - key: negatively regulates + source: MESH:D000069605 + target: GO:0043303 + - key: increases abundance of + source: GO:0043303 + target: MESH:D006632 + - key: causes + source: MESH:D006632 + target: GO:0071420 + - key: participates in + source: UniProt:P35367 + target: GO:0004969 + - key: participates in + source: GO:0004969 + target: GO:0071420 + - key: positively correlated with + source: GO:0071420 + target: GO:0006954 + - key: causes + source: GO:0006954 + target: MESH:D003233 + multigraph: true + nodes: + - id: MESH:D000069605 + label: Drug + name: Olopatadine + - id: UniProt:P35367 + label: Protein + name: Histamine H1 receptor + - id: GO:0004969 + label: MolecularActivity + name: Histamine receptor activity + - id: MESH:D006632 + label: ChemicalSubstance + name: Histamine + - id: GO:0071420 + label: BiologicalProcess + name: Cellular response to histamine + - id: GO:0006954 + label: BiologicalProcess + name: Inflammatory response + - id: GO:0043303 + label: BiologicalProcess + name: Mast cell degranulation + - id: MESH:D003233 + label: Disease + name: Allergic conjunctivitis + reference: + - https://en.wikipedia.org/wiki/Antihistamine#H1-antihistamines + - https://go.drugbank.com/drugs/DB00768 +- comment: Isotretinoin is a retinoid used to treat severe recalcitrant acne. No MoA found on isotretinoin + treating hypertensive disorder. + directed: true + graph: + disease: Hypertensive disorder + disease_mesh: MESH:D006973 + drug: isotretinoin + drug_mesh: MESH:D015474 + drugbank: DB:DB00982 + links: + - key: treats + source: MESH:D015474 + target: MESH:D006973 + multigraph: true + nodes: + - id: MESH:D015474 + label: Drug + name: Isotretinoin + - id: MESH:D006973 + label: Disease + name: Hypertensive disorder + reference: + - https://go.drugbank.com/drugs/DB00982 +- directed: true + graph: + disease: Neoplasm of brain + disease_mesh: MESH:D001932 + drug: lomustine + drug_mesh: MESH:D008130 + drugbank: DB:DB01206 + links: + - key: disrupts + source: MESH:D008130 + target: MESH:D004247 + - key: participates in + source: MESH:D004247 + target: GO:0006260 + - key: precedes + source: GO:0006260 + target: HP:0031377 + - key: positively correlated with + source: HP:0031377 + target: MESH:D001932 + multigraph: true + nodes: + - id: MESH:D008130 + label: Drug + name: Lomustine + - id: MESH:D004247 + label: ChemicalSubstance + name: DNA + - id: GO:0006260 + label: BiologicalProcess + name: DNA replication + - id: HP:0031377 + label: PhenotypicFeature + name: Abnormal cell proliferation + - id: MESH:D001932 + label: Disease + name: Neoplasm of brain + reference: + - https://go.drugbank.com/drugs/DB01206 +- directed: true + graph: + disease: Hodgkin's disease + disease_mesh: MESH:D006689 + drug: lomustine + drug_mesh: MESH:D008130 + drugbank: DB:DB01206 + links: + - key: disrupts + source: MESH:D008130 + target: MESH:D004247 + - key: participates in + source: MESH:D004247 + target: GO:0006260 + - key: precedes + source: GO:0006260 + target: HP:0031377 + - key: positively correlated with + source: HP:0031377 + target: MESH:D006689 + multigraph: true + nodes: + - id: MESH:D008130 + label: Drug + name: Lomustine + - id: MESH:D004247 + label: ChemicalSubstance + name: DNA + - id: GO:0006260 + label: BiologicalProcess + name: DNA replication + - id: HP:0031377 + label: PhenotypicFeature + name: Abnormal cell proliferation + - id: MESH:D006689 + label: Disease + name: Hodgkin's disease + reference: + - https://go.drugbank.com/drugs/DB01206 +- directed: true + graph: + disease: Ocular hypertension + disease_mesh: MESH:D009798 + drug: metipranolol + drug_mesh: MESH:D014290 + drugbank: DB:DB01214 + links: + - key: decreases activity of + source: MESH:D014290 + target: UniProt:P08588 + - key: positively regulates + source: UniProt:P08588 + target: UBERON:0001796 + - key: decreases activity of + source: MESH:D014290 + target: UniProt:P07550 + - key: positively regulates + source: UniProt:P07550 + target: UBERON:0001796 + - key: positively correlated with + source: UBERON:0001796 + target: MESH:D009798 + multigraph: true + nodes: + - id: MESH:D014290 + label: Drug + name: Metipranolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: UBERON:0001796 + label: GrossAnatomicalStructure + name: Aqueous humor of eyeball + - id: MESH:D009798 + label: Disease + name: Ocular hypertension + reference: + - https://go.drugbank.com/drugs/DB01214 +- directed: true + graph: + disease: Open-angle glaucoma + disease_mesh: MESH:D005902 + drug: metipranolol + drug_mesh: MESH:D014290 + drugbank: DB:DB01214 + links: + - key: decreases activity of + source: MESH:D014290 + target: UniProt:P08588 + - key: positively regulates + source: UniProt:P08588 + target: UBERON:0001796 + - key: decreases activity of + source: MESH:D014290 + target: UniProt:P07550 + - key: positively regulates + source: UniProt:P07550 + target: UBERON:0001796 + - key: positively correlated with + source: UBERON:0001796 + target: HP:0007906 + - key: affects risk for + source: HP:0007906 + target: MESH:D005902 + multigraph: true + nodes: + - id: MESH:D014290 + label: Drug + name: Metipranolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: UBERON:0001796 + label: GrossAnatomicalStructure + name: Aqueous humor of eyeball + - id: HP:0007906 + label: PhenotypicFeature + name: Ocular Hypertension + - id: MESH:D005902 + label: Disease + name: Open-angle glaucoma + reference: + - https://go.drugbank.com/drugs/DB01214 +- directed: true + graph: + disease: Bronchitis + disease_mesh: MESH:D001991 + drug: pirbuterol + drug_mesh: MESH:C009118 + drugbank: DB:DB01291 + links: + - key: increases activity of + source: MESH:C009118 + target: UniProt:P07550 + - key: increases activity of + source: UniProt:P07550 + target: InterPro:IPR030672 + - key: increases abundance of + source: InterPro:IPR030672 + target: MESH:D000242 + - key: negatively correlated with + source: MESH:D000242 + target: GO:0006939 + - key: occurs in + source: GO:0006939 + target: UBERON:0002185 + - key: affected by + source: UBERON:0002185 + target: MESH:D001991 + multigraph: true + nodes: + - id: MESH:C009118 + label: Drug + name: Pirbuterol + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: InterPro:IPR030672 + label: GeneFamily + name: Adenylate cyclase + - id: MESH:D000242 + label: ChemicalSubstance + name: Cyclic AMP + - id: GO:0006939 + label: BiologicalProcess + name: Smooth muscle contraction + - id: UBERON:0002185 + label: GrossAnatomicalStructure + name: Bronchus + - id: MESH:D001991 + label: Disease + name: Bronchitis + reference: + - https://go.drugbank.com/drugs/DB01291 +- directed: true + graph: + disease: Asthma + disease_mesh: MESH:D001249 + drug: pirbuterol + drug_mesh: MESH:C009118 + drugbank: DB:DB01291 + links: + - key: increases activity of + source: MESH:C009118 + target: UniProt:P07550 + - key: increases activity of + source: UniProt:P07550 + target: InterPro:IPR030672 + - key: increases abundance of + source: InterPro:IPR030672 + target: MESH:D000242 + - key: negatively correlated with + source: MESH:D000242 + target: GO:0006939 + - key: occurs in + source: GO:0006939 + target: UBERON:0002185 + - key: affected by + source: UBERON:0002185 + target: MESH:D001249 + multigraph: true + nodes: + - id: MESH:C009118 + label: Drug + name: Pirbuterol + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: InterPro:IPR030672 + label: GeneFamily + name: Adenylate cyclase + - id: MESH:D000242 + label: ChemicalSubstance + name: Cyclic AMP + - id: GO:0006939 + label: BiologicalProcess + name: Smooth muscle contraction + - id: UBERON:0002185 + label: GrossAnatomicalStructure + name: Bronchus + - id: MESH:D001249 + label: Disease + name: Asthma + reference: + - https://go.drugbank.com/drugs/DB01291 +- directed: true + graph: + disease: Pulmonary emphysema + disease_mesh: MESH:D011656 + drug: pirbuterol + drug_mesh: MESH:C009118 + drugbank: DB:DB01291 + links: + - key: positively regulates + source: MESH:C009118 + target: UniProt:P07550 + - key: positively regulates + source: UniProt:P07550 + target: UniProt:B7Z2C7 + - key: increases abundance of + source: UniProt:B7Z2C7 + target: CHEBI:17489 + - key: positively correlated with + source: CHEBI:17489 + target: GO:0044557 + - key: located in + source: GO:0044557 + target: UBERON:0002187 + - key: location of + source: UBERON:0002187 + target: MESH:D011656 + multigraph: true + nodes: + - id: MESH:C009118 + label: Drug + name: Pirbuterol + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: UniProt:B7Z2C7 + label: Protein + name: Adenylate cyclase + - id: CHEBI:17489 + label: ChemicalSubstance + name: 3',5'-cyclic AMP + - id: GO:0044557 + label: BiologicalProcess + name: Relaxation of smooth muscle + - id: UBERON:0002187 + label: GrossAnatomicalStructure + name: Terminal bronchiole + - id: MESH:D011656 + label: Disease + name: Pulmonary emphysema + reference: + - https://go.drugbank.com/drugs/DB01291 +- directed: true + graph: + disease: Bronchiectasis + disease_mesh: MESH:D001987 + drug: pirbuterol + drug_mesh: MESH:C009118 + drugbank: DB:DB01291 + links: + - key: increases activity of + source: MESH:C009118 + target: UniProt:P07550 + - key: increases activity of + source: UniProt:P07550 + target: InterPro:IPR030672 + - key: increases abundance of + source: InterPro:IPR030672 + target: MESH:D000242 + - key: negatively correlated with + source: MESH:D000242 + target: GO:0006939 + - key: occurs in + source: GO:0006939 + target: UBERON:0002185 + - key: affected by + source: UBERON:0002185 + target: MESH:D001987 + multigraph: true + nodes: + - id: MESH:C009118 + label: Drug + name: Pirbuterol + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: InterPro:IPR030672 + label: GeneFamily + name: Adenylate cyclase + - id: MESH:D000242 + label: ChemicalSubstance + name: Cyclic AMP + - id: GO:0006939 + label: BiologicalProcess + name: Smooth muscle contraction + - id: UBERON:0002185 + label: GrossAnatomicalStructure + name: Bronchus + - id: MESH:D001987 + label: Disease + name: Bronchiectasis + reference: + - https://go.drugbank.com/drugs/DB01291 +- directed: true + graph: + disease: Disorder of lung + disease_mesh: MESH:D008171 + drug: pirbuterol + drug_mesh: MESH:C009118 + drugbank: DB:DB01291 + links: + - key: positively regulates + source: MESH:C009118 + target: UniProt:P07550 + - key: positively regulates + source: UniProt:P07550 + target: UniProt:B7Z2C7 + - key: increases abundance of + source: UniProt:B7Z2C7 + target: CHEBI:17489 + - key: positively correlated with + source: CHEBI:17489 + target: GO:0044557 + - key: located in + source: GO:0044557 + target: UBERON:0002187 + - key: affected by + source: UBERON:0002187 + target: MESH:D008171 + multigraph: true + nodes: + - id: MESH:C009118 + label: Drug + name: Pirbuterol + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: UniProt:B7Z2C7 + label: Protein + name: Adenylate cyclase + - id: CHEBI:17489 + label: ChemicalSubstance + name: 3',5'-cyclic AMP + - id: GO:0044557 + label: BiologicalProcess + name: Relaxation of smooth muscle + - id: UBERON:0002187 + label: GrossAnatomicalStructure + name: Terminal bronchiole + - id: MESH:D008171 + label: Disease + name: Disorder of lung + reference: + - https://go.drugbank.com/drugs/DB01291 +- directed: true + graph: + disease: Angina pectoris + disease_mesh: MESH:D000787 + drug: oxprenolol + drug_mesh: MESH:D010096 + drugbank: DB:DB01580 + links: + - key: decreases activity of + source: MESH:D010096 + target: UniProt:P08588 + - key: decreases activity of + source: MESH:D010096 + target: UniProt:P07550 + - key: positively regulates + source: UniProt:P08588 + target: GO:0042310 + - key: positively regulates + source: UniProt:P08588 + target: UniProt:P00797 + - key: positively regulates + source: UniProt:P07550 + target: GO:0042310 + - key: positively regulates + source: UniProt:P00797 + target: GO:0042310 + - key: affects risk for + source: GO:0042310 + target: HP:0000822 + - key: affects risk for + source: HP:0000822 + target: MESH:D000787 + multigraph: true + nodes: + - id: MESH:D010096 + label: Drug + name: Oxprenolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: UniProt:P00797 + label: Protein + name: Renin + - id: GO:0042310 + label: BiologicalProcess + name: Vasoconstriction + - id: HP:0000822 + label: PhenotypicFeature + name: Hypertension + - id: MESH:D000787 + label: Disease + name: Angina pectoris + reference: + - https://go.drugbank.com/drugs/DB01580#BE0000172 +- directed: true + graph: + disease: Hypertensive disorder + disease_mesh: MESH:D006973 + drug: oxprenolol + drug_mesh: MESH:D010096 + drugbank: DB:DB01580 + links: + - key: decreases activity of + source: MESH:D010096 + target: UniProt:P08588 + - key: decreases activity of + source: MESH:D010096 + target: UniProt:P07550 + - key: positively regulates + source: UniProt:P08588 + target: GO:0042310 + - key: positively regulates + source: UniProt:P08588 + target: UniProt:P00797 + - key: positively regulates + source: UniProt:P07550 + target: GO:0042310 + - key: positively regulates + source: UniProt:P00797 + target: GO:0042310 + - key: affects risk for + source: GO:0042310 + target: HP:0000822 + - key: positively correlated with + source: HP:0000822 + target: MESH:D006973 + multigraph: true + nodes: + - id: MESH:D010096 + label: Drug + name: Oxprenolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: UniProt:P00797 + label: Protein + name: Renin + - id: GO:0042310 + label: BiologicalProcess + name: Vasoconstriction + - id: HP:0000822 + label: PhenotypicFeature + name: Hypertension + - id: MESH:D006973 + label: Disease + name: Hypertensive disorder + reference: + - https://go.drugbank.com/drugs/DB01580#BE0000172 +- directed: true + graph: + disease: Anxiety + disease_mesh: MESH:D001007 + drug: oxprenolol + drug_mesh: MESH:D010096 + drugbank: DB:DB01580 + links: + - key: decreases activity of + source: MESH:D010096 + target: UniProt:P08588 + - key: decreases activity of + source: MESH:D010096 + target: UniProt:P07550 + - key: positively correlated with + source: UniProt:P08588 + target: MESH:D004837 + - key: positively correlated with + source: UniProt:P07550 + target: MESH:D004837 + - key: positively correlated with + source: MESH:D004837 + target: HP:0100852 + - key: manifestation of + source: HP:0100852 + target: MESH:D001007 + multigraph: true + nodes: + - id: MESH:D010096 + label: Drug + name: Oxprenolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: HP:0100852 + label: PhenotypicFeature + name: Abnormal fear/anxiety-related behavior + - id: MESH:D004837 + label: ChemicalSubstance + name: Epinephrine + - id: MESH:D001007 + label: Disease + name: Anxiety + reference: + - https://go.drugbank.com/drugs/DB01580#BE0000172 +- directed: true + graph: + disease: Cough + disease_mesh: MESH:D003371 + drug: terpin + drug_mesh: MESH:C005804 + drugbank: DB:DB13163 + links: + - key: negatively regulates + source: MESH:C005804 + target: UBERON:0000912 + - key: positively correlated with + source: UBERON:0000912 + target: MESH:D003371 + multigraph: true + nodes: + - id: MESH:C005804 + label: Drug + name: Terpin + - id: UBERON:0000912 + label: GrossAnatomicalStructure + name: Mucus + - id: MESH:D003371 + label: Disease + name: Cough + reference: + - https://go.drugbank.com/drugs/DB13163 From 400be2b0253ad9b87aa80352fe2ef0c4ddee0665 Mon Sep 17 00:00:00 2001 From: TanskaAnnna Date: Sun, 6 Jun 2021 09:28:26 +0000 Subject: [PATCH 4/5] Commit from GitHub Actions (Update Indications on Merge) --- indication_paths.json | 2661 +++++++++++++++++++++++++++-------------- indication_paths.yaml | 1460 ++++++++++++++-------- submission.yaml | 975 +-------------- 3 files changed, 2755 insertions(+), 2341 deletions(-) diff --git a/indication_paths.json b/indication_paths.json index 6629b3c51..f02c30587 100644 --- a/indication_paths.json +++ b/indication_paths.json @@ -18308,81 +18308,6 @@ "https://go.drugbank.com/drugs/DB00994#mechanism-of-action" ] }, - { - "directed": true, - "graph": { - "_id": "DB00994_MESH_D014552_2", - "disease": "Urinary tract infectious disease", - "disease_mesh": "MESH:D014552", - "drug": "neomycin", - "drug_mesh": "MESH:D009355", - "drugbank": "DB:DB00994" - }, - "links": [ - { - "key": "decreases activity of", - "source": "MESH:D009355", - "target": "MESH:D012336" - }, - { - "key": "participates in", - "source": "MESH:D012336", - "target": "GO:0048027" - }, - { - "key": "precedes", - "source": "GO:0048027", - "target": "GO:0006412" - }, - { - "key": "in taxon", - "source": "GO:0006412", - "target": "NCBITaxon:562" - }, - { - "key": "causes", - "source": "NCBITaxon:562", - "target": "MESH:D014552" - } - ], - "multigraph": true, - "nodes": [ - { - "id": "MESH:D009355", - "label": "Drug", - "name": "neomycin" - }, - { - "id": "MESH:D012336", - "label": "CellularComponent", - "name": "RNA, Ribosomal, 16S" - }, - { - "id": "GO:0048027", - "label": "MolecularActivity", - "name": "mRNA 5-UTR binding" - }, - { - "id": "GO:0006412", - "label": "BiologicalProcess", - "name": "translation" - }, - { - "id": "NCBITaxon:562", - "label": "OrganismTaxon", - "name": "Escherichia coli" - }, - { - "id": "MESH:D014552", - "label": "Disease", - "name": "Urinary tract infectious disease" - } - ], - "reference": [ - "https://go.drugbank.com/drugs/DB00994#mechanism-of-action", - "https://en.wikipedia.org/wiki/Urinary_tract_infection#Cause" - ] - }, { "directed": true, "graph": { @@ -18447,80 +18372,6 @@ "https://go.drugbank.com/drugs/DB00994#mechanism-of-action" ] }, - { - "directed": true, - "graph": { - "_id": "DB00994_MESH_D010032_2", - "disease": "Otitis externa", - "disease_mesh": "MESH:D010032", - "drug": "neomycin", - "drug_mesh": "MESH:D009355", - "drugbank": "DB:DB00994" - }, - "links": [ - { - "key": "decreases activity of", - "source": "MESH:D009355", - "target": "MESH:D012336" - }, - { - "key": "participates in", - "source": "MESH:D012336", - "target": "GO:0048027" - }, - { - "key": "precedes", - "source": "GO:0048027", - "target": "GO:0006412" - }, - { - "key": "in taxon", - "source": "GO:0006412", - "target": "NCBITaxon:2" - }, - { - "key": "causes", - "source": "NCBITaxon:2", - "target": "MESH:D010032" - } - ], - "multigraph": true, - "nodes": [ - { - "id": "MESH:D009355", - "label": "Drug", - "name": "neomycin" - }, - { - "id": "MESH:D012336", - "label": "CellularComponent", - "name": "RNA, Ribosomal, 16S" - }, - { - "id": "GO:0048027", - "label": "MolecularActivity", - "name": "mRNA 5-UTR binding" - }, - { - "id": "GO:0006412", - "label": "BiologicalProcess", - "name": "translation" - }, - { - "id": "NCBITaxon:2", - "label": "OrganismTaxon", - "name": "Bacteria" - }, - { - "id": "MESH:D010032", - "label": "Disease", - "name": "Otitis externa" - } - ], - "reference": [ - "https://go.drugbank.com/drugs/DB00994#mechanism-of-action" - ] - }, { "directed": true, "graph": { @@ -18585,80 +18436,6 @@ "https://go.drugbank.com/drugs/DB00994#mechanism-of-action" ] }, - { - "directed": true, - "graph": { - "_id": "DB00994_MESH_D014605_2", - "disease": "Uveitis", - "disease_mesh": "MESH:D014605", - "drug": "neomycin", - "drug_mesh": "MESH:D009355", - "drugbank": "DB:DB00994" - }, - "links": [ - { - "key": "decreases activity of", - "source": "MESH:D009355", - "target": "MESH:D012336" - }, - { - "key": "participates in", - "source": "MESH:D012336", - "target": "GO:0048027" - }, - { - "key": "precedes", - "source": "GO:0048027", - "target": "GO:0006412" - }, - { - "key": "in taxon", - "source": "GO:0006412", - "target": "NCBITaxon:562" - }, - { - "key": "causes", - "source": "NCBITaxon:562", - "target": "MESH:D014605" - } - ], - "multigraph": true, - "nodes": [ - { - "id": "MESH:D009355", - "label": "Drug", - "name": "neomycin" - }, - { - "id": "MESH:D012336", - "label": "CellularComponent", - "name": "RNA, Ribosomal, 16S" - }, - { - "id": "GO:0048027", - "label": "MolecularActivity", - "name": "mRNA 5-UTR binding" - }, - { - "id": "GO:0006412", - "label": "BiologicalProcess", - "name": "translation" - }, - { - "id": "NCBITaxon:562", - "label": "OrganismTaxon", - "name": "Escherichia coli" - }, - { - "id": "MESH:D014605", - "label": "Disease", - "name": "Uveitis" - } - ], - "reference": [ - "https://go.drugbank.com/drugs/DB00994#mechanism-of-action" - ] - }, { "directed": true, "graph": { @@ -18733,95 +18510,6 @@ "https://go.drugbank.com/drugs/DB00994#mechanism-of-action" ] }, - { - "directed": true, - "graph": { - "_id": "DB00994_MESH_D006501_2", - "disease": "Hepatic encephalopathy", - "disease_mesh": "MESH:D006501", - "drug": "neomycin", - "drug_mesh": "MESH:D009355", - "drugbank": "DB:DB00994" - }, - "links": [ - { - "key": "decreases activity of", - "source": "MESH:D009355", - "target": "MESH:D012336" - }, - { - "key": "participates in", - "source": "MESH:D012336", - "target": "GO:0048027" - }, - { - "key": "in taxon", - "source": "GO:0048027", - "target": "NCBITaxon:562" - }, - { - "key": "correlated with", - "source": "NCBITaxon:562", - "target": "GO:0097272" - }, - { - "key": "prevents", - "source": "GO:0097272", - "target": "HP:0001987" - }, - { - "key": "causes", - "source": "HP:0001987", - "target": "MESH:D006501" - } - ], - "multigraph": true, - "nodes": [ - { - "id": "MESH:D009355", - "label": "Drug", - "name": "neomycin" - }, - { - "id": "MESH:D012336", - "label": "CellularComponent", - "name": "RNA, Ribosomal, 16S" - }, - { - "id": "GO:0048027", - "label": "MolecularActivity", - "name": "mRNA 5-UTR binding" - }, - { - "id": "NCBITaxon:562", - "label": "OrganismTaxon", - "name": "Escherichia coli" - }, - { - "id": "GO:0097272", - "label": "BiologicalProcess", - "name": "ammonium homeostasis" - }, - { - "id": "GO:0097272", - "label": "BiologicalProcess", - "name": "ammonium homeostasis" - }, - { - "id": "HP:0001987", - "label": "PhenotypicFeature", - "name": "Hyperammonemia" - }, - { - "id": "MESH:D006501", - "label": "Disease", - "name": "Hepatic encephalopathy" - } - ], - "reference": [ - "https://go.drugbank.com/drugs/DB00994#mechanism-of-action" - ] - }, { "directed": true, "graph": { @@ -95961,163 +95649,6 @@ "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3666183/" ] }, - { - "comments": "If the bile duct (or biliary tract) is obstructed and it leads to jaundice, uncontrolled bleeding may result. In this case, vitamin K would prevent complications due to hemorrhage. Vitamin K allows for prothrombin to bind calcium, as part of a blood clotting process to stop life-threatening hemorrhage. Note that marketing for this drug has been discontinued and is not available in North America due to its likely carcinogenic potential and cytotoxic properties.", - "directed": true, - "graph": { - "_id": "DB06718_MESH_D041781_1", - "disease": "Obstructive hyperbilirubinemia", - "disease_mesh": "MESH:D041781", - "drug": "menadiol sodium diphosphate", - "drug_mesh": null, - "drugbank": "DB:DB06718" - }, - "links": [ - { - "key": "positively regulates", - "source": "DB:DB06718", - "target": "UniProt:P00734" - }, - { - "key": "positively regulates", - "source": "DB:DB06718", - "target": "UniProt:P08709" - }, - { - "key": "positively regulates", - "source": "DB:DB06718", - "target": "UniProt:P00740" - }, - { - "key": "positively regulates", - "source": "DB:DB06718", - "target": "UniProt:P00742" - }, - { - "key": "positively regulates", - "source": "DB:DB06718", - "target": "UniProt:P04070" - }, - { - "key": "positively regulates", - "source": "DB:DB06718", - "target": "UniProt:P38435" - }, - { - "key": "positively regulates", - "source": "DB:DB06718", - "target": "UniProt:P07225" - }, - { - "key": "regulates", - "source": "UniProt:P07225", - "target": "GO:0007596" - }, - { - "key": "positively regulates", - "source": "UniProt:P38435", - "target": "GO:0007596" - }, - { - "key": "regulates", - "source": "UniProt:P04070", - "target": "GO:0007596" - }, - { - "key": "positively regulates", - "source": "UniProt:P00742", - "target": "GO:0007596" - }, - { - "key": "positively regulates", - "source": "UniProt:P00740", - "target": "GO:0007596" - }, - { - "key": "positively regulates", - "source": "UniProt:P08709", - "target": "GO:0007596" - }, - { - "key": "positively regulates", - "source": "UniProt:P00734", - "target": "GO:0007596" - }, - { - "key": "prevents", - "source": "GO:0007596", - "target": "HP:0011029" - }, - { - "key": "manifestation of", - "source": "HP:0011029", - "target": "MESH:D041781" - } - ], - "multigraph": true, - "nodes": [ - { - "id": "DB:DB06718", - "label": "Drug", - "name": "menadiol sodium diphosphate" - }, - { - "id": "UniProt:P00734", - "label": "Protein", - "name": "Prothrombin" - }, - { - "id": "UniProt:P08709", - "label": "Protein", - "name": "Coagulation factor VII" - }, - { - "id": "UniProt:P00740", - "label": "Protein", - "name": "Coagulation factor IX" - }, - { - "id": "UniProt:P00742", - "label": "Protein", - "name": "Coagulation factor X" - }, - { - "id": "UniProt:P04070", - "label": "Protein", - "name": "Vitamin K-dependent protein C" - }, - { - "id": "UniProt:P38435", - "label": "Protein", - "name": "Vitamin K-dependent gamma-carboxylase" - }, - { - "id": "UniProt:P07225", - "label": "Protein", - "name": "Vitamin K-dependent protein S" - }, - { - "id": "GO:0007596", - "label": "BiologicalProcess", - "name": "blood coagulation" - }, - { - "id": "HP:0011029", - "label": "PhenotypicFeature", - "name": "Internal hemorrhage" - }, - { - "id": "MESH:D041781", - "label": "Disease", - "name": "Obstructive hyperbilirubinemia" - } - ], - "reference": [ - "https://journals.sagepub.com/doi/abs/10.3181/00379727-37-9668P", - "https://www.medicalnewstoday.com/articles/165749#complications", - "https://en.wikipedia.org/wiki/Vitamin_K#History" - ] - }, { "comments": "Marketing for this drug has been discontinued and is not available in North America due to its likely carcinogenic potential and cytotoxic properties.", "directed": true, @@ -110131,347 +109662,275 @@ { "directed": true, "graph": { - "_id": "DB00484_MESH_D005902_3", - "disease": "Open-angle glaucoma", - "disease_mesh": "MESH:D005902", - "drug": "timolol", - "drug_mesh": "MESH:D013999", - "drugbank": "DB:DB00484" + "_id": "DB00610_MESH_D007022_1", + "disease": "Low blood pressure", + "disease_mesh": "MESH:D007022", + "drug": "metaraminol", + "drug_mesh": "MESH:D008680", + "drugbank": "DB:DB00610" }, "links": [ { - "key": "decreases activity of", - "source": "MESH:D013999", - "target": "UniProt:P07550" - }, - { - "key": "decreases activity of", - "source": "MESH:D013999", - "target": "UniProt:P08588" - }, - { - "key": "participates in", - "source": "UniProt:P07550", - "target": "REACT:R-HSA-418555" - }, - { - "key": "participates in", - "source": "UniProt:P08588", - "target": "REACT:R-HSA-418555" + "key": "increases activity of", + "source": "MESH:D008680", + "target": "UniProt:P35348" }, { - "key": "increases abundance of", - "source": "REACT:R-HSA-418555", - "target": "CHEBI:17489" + "key": "positively correlated with", + "source": "UniProt:P35348", + "target": "GO:0042310" }, { "key": "positively correlated with", - "source": "CHEBI:17489", - "target": "UBERON:0001796" + "source": "UniProt:P35348", + "target": "GO:0060048" }, { - "key": "positively correlated with", - "source": "UBERON:0001796", - "target": "HP:0007906" + "key": "negatively correlated with", + "source": "GO:0060048", + "target": "MESH:D007022" }, { - "key": "positively correlated with", - "source": "HP:0007906", - "target": "MESH:D005902" + "key": "negatively correlated with", + "source": "GO:0042310", + "target": "MESH:D007022" } ], "multigraph": true, "nodes": [ { - "id": "MESH:D013999", + "id": "MESH:D008680", "label": "Drug", - "name": "timolol" - }, - { - "id": "UniProt:P08588", - "label": "Protein", - "name": "Beta-1 adrenergic receptor" + "name": "metaraminol" }, { - "id": "UniProt:P07550", + "id": "UniProt:P35348", "label": "Protein", - "name": "Beta-2 adrenergic receptor" - }, - { - "id": "REACT:R-HSA-418555", - "label": "Pathway", - "name": "G alpha (s) signalling events" - }, - { - "id": "CHEBI:17489", - "label": "ChemicalSubstance", - "name": "3,5-cyclic AMP" + "name": "Alpha-1A adrenergic receptor" }, { - "id": "UBERON:0001796", - "label": "GrossAnatomicalStructure", - "name": "aqueous humor of eyeball" + "id": "GO:0060048", + "label": "BiologicalProcess", + "name": "cardiac muscle contraction" }, { - "id": "HP:0007906", - "label": "PhenotypicFeature", - "name": "Ocular Hypertension" + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" }, { - "id": "MESH:D005902", + "id": "MESH:D007022", "label": "Disease", - "name": "Open-angle glaucoma" + "name": "Low blood pressure" } ], "reference": [ - "https://go.drugbank.com/drugs/DB00373#mechanism-of-action", - "https://en.wikipedia.org/wiki/Timolol#Eye_drops", - "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5342868/" + "https://go.drugbank.com/drugs/DB00610#mechanism-of-action" ] }, { "directed": true, "graph": { - "_id": "DB00484_MESH_D006973_1", - "disease": "Hypertensive disorder", - "disease_mesh": "MESH:D006973", - "drug": "timolol", - "drug_mesh": "MESH:D013999", - "drugbank": "DB:DB00484" + "_id": "DB00634_MESH_D015863_1", + "disease": "Iridocyclitis", + "disease_mesh": "MESH:D015863", + "drug": "sulfacetamide", + "drug_mesh": "MESH:D013409", + "drugbank": "DB:DB00634" }, "links": [ { "key": "decreases activity of", - "source": "MESH:D013999", - "target": "InterPro:cd15058" - }, - { - "key": "positively regulates", - "source": "InterPro:cd15058", - "target": "UBERON:0000013" + "source": "MESH:D013409", + "target": "Pfam:PF00809" }, { "key": "positively correlated with", - "source": "UBERON:0000013", - "target": "UBERON:0018229" + "source": "Pfam:PF00809", + "target": "GO:0046656" }, { - "key": "positively correlated with", - "source": "UBERON:0018229", - "target": "HP:0032263" + "key": "in taxon", + "source": "GO:0046656", + "target": "NCBITaxon:2" }, { - "key": "positively correlated with", - "source": "HP:0032263", - "target": "MESH:D006973" + "key": "causes", + "source": "NCBITaxon:2", + "target": "MESH:D015863" } ], "multigraph": true, "nodes": [ { - "id": "MESH:D013999", + "id": "MESH:D013409", "label": "Drug", - "name": "timolol" + "name": "sulfacetamide" }, { - "id": "InterPro:cd15058", + "id": "Pfam:PF00809", "label": "GeneFamily", - "name": "beta adrenergic receptors (adenoceptors), member of the class A family of seven-transmembrane G protein-coupled receptors" - }, - { - "id": "UBERON:0000013", - "label": "GrossAnatomicalStructure", - "name": "sympathetic nervous system" + "name": "Dihydropteroate synthase" }, { - "id": "UBERON:0018229", - "label": "GrossAnatomicalStructure", - "name": "renin-angiotensin system" + "id": "GO:0046656", + "label": "BiologicalProcess", + "name": "folic acid biosynthetic process" }, { - "id": "HP:0032263", - "label": "PhenotypicFeature", - "name": "Increased blood pressure" + "id": "NCBITaxon:2", + "label": "OrganismTaxon", + "name": "Bacteria" }, { - "id": "MESH:D006973", + "id": "MESH:D015863", "label": "Disease", - "name": "Hypertensive disorder" + "name": "Iridocyclitis" } ], "reference": [ - "https://go.drugbank.com/drugs/DB00373#mechanism-of-action", - "https://pubchem.ncbi.nlm.nih.gov/compound/33624#section=Pharmacology-and-Biochemistry", - "https://en.wikipedia.org/wiki/Beta_blocker#%CE%B2-receptor_antagonism" + "https://go.drugbank.com/drugs/DB00634#mechanism-of-action", + "https://en.wikipedia.org/wiki/Sulfacetamide#Mechanisms_of_action" ] }, { "directed": true, "graph": { - "_id": "DB00484_MESH_D009798_3", - "disease": "Ocular hypertension", - "disease_mesh": "MESH:D009798", - "drug": "timolol", - "drug_mesh": "MESH:D013999", - "drugbank": "DB:DB00484" + "_id": "DB00634_MESH_D012628_1", + "disease": "Seborrheic dermatitis", + "disease_mesh": "MESH:D012628", + "drug": "sulfacetamide", + "drug_mesh": "MESH:D013409", + "drugbank": "DB:DB00634" }, "links": [ { "key": "decreases activity of", - "source": "MESH:D013999", - "target": "UniProt:P07550" - }, - { - "key": "decreases activity of", - "source": "MESH:D013999", - "target": "UniProt:P08588" - }, - { - "key": "participates in", - "source": "UniProt:P07550", - "target": "REACT:R-HSA-418555" - }, - { - "key": "participates in", - "source": "UniProt:P08588", - "target": "REACT:R-HSA-418555" + "source": "MESH:D013409", + "target": "Pfam:PF00809" }, { - "key": "increases abundance of", - "source": "REACT:R-HSA-418555", - "target": "CHEBI:17489" + "key": "positively correlated with", + "source": "Pfam:PF00809", + "target": "GO:0046656" }, { - "key": "positively correlated with", - "source": "CHEBI:17489", - "target": "UBERON:0001796" + "key": "in taxon", + "source": "GO:0046656", + "target": "NCBITaxon:55193" }, { - "key": "positively correlated with", - "source": "UBERON:0001796", - "target": "MESH:D009798" + "key": "causes", + "source": "NCBITaxon:55193", + "target": "MESH:D012628" } ], "multigraph": true, "nodes": [ { - "id": "MESH:D013999", + "id": "MESH:D013409", "label": "Drug", - "name": "timolol" - }, - { - "id": "UniProt:P08588", - "label": "Protein", - "name": "Beta-1 adrenergic receptor" - }, - { - "id": "UniProt:P07550", - "label": "Protein", - "name": "Beta-2 adrenergic receptor" + "name": "sulfacetamide" }, { - "id": "REACT:R-HSA-418555", - "label": "Pathway", - "name": "G alpha (s) signalling events" + "id": "Pfam:PF00809", + "label": "GeneFamily", + "name": "Dihydropteroate synthase" }, { - "id": "CHEBI:17489", - "label": "ChemicalSubstance", - "name": "3,5-cyclic AMP" + "id": "GO:0046656", + "label": "BiologicalProcess", + "name": "folic acid biosynthetic process" }, { - "id": "UBERON:0001796", - "label": "GrossAnatomicalStructure", - "name": "aqueous humor of eyeball" + "id": "NCBITaxon:55193", + "label": "OrganismTaxon", + "name": "Malassezia sp." }, { - "id": "MESH:D009798", + "id": "MESH:D012628", "label": "Disease", - "name": "Ocular hypertension" + "name": "Seborrheic dermatitis" } ], "reference": [ - "https://go.drugbank.com/drugs/DB00373#mechanism-of-action", - "https://en.wikipedia.org/wiki/Timolol#Eye_drops", - "https://en.wikipedia.org/wiki/Ocular_hypertension#Treatment", - "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5342868/" + "https://go.drugbank.com/drugs/DB00634#mechanism-of-action", + "https://en.wikipedia.org/wiki/Sulfacetamide#Efficacy" ] }, { "directed": true, "graph": { - "_id": "DB00610_MESH_D007022_1", - "disease": "Low blood pressure", - "disease_mesh": "MESH:D007022", - "drug": "metaraminol", - "drug_mesh": "MESH:D008680", - "drugbank": "DB:DB00610" + "_id": "DB00634_MESH_D014848_1", + "disease": "Vulvovaginitis", + "disease_mesh": "MESH:D014848", + "drug": "sulfacetamide", + "drug_mesh": "MESH:D013409", + "drugbank": "DB:DB00634" }, "links": [ { - "key": "increases activity of", - "source": "MESH:D008680", - "target": "UniProt:P35348" - }, - { - "key": "positively correlated with", - "source": "UniProt:P35348", - "target": "GO:0042310" + "key": "decreases activity of", + "source": "MESH:D013409", + "target": "Pfam:PF00809" }, { "key": "positively correlated with", - "source": "UniProt:P35348", - "target": "GO:0060048" + "source": "Pfam:PF00809", + "target": "GO:0046656" }, { - "key": "negatively correlated with", - "source": "GO:0060048", - "target": "MESH:D007022" + "key": "in taxon", + "source": "GO:0046656", + "target": "NCBITaxon:5476" }, { - "key": "negatively correlated with", - "source": "GO:0042310", - "target": "MESH:D007022" + "key": "causes", + "source": "NCBITaxon:5476", + "target": "MESH:D014848" } ], "multigraph": true, "nodes": [ { - "id": "MESH:D008680", + "id": "MESH:D013409", "label": "Drug", - "name": "metaraminol" + "name": "sulfacetamide" }, { - "id": "UniProt:P35348", - "label": "Protein", - "name": "Alpha-1A adrenergic receptor" + "id": "Pfam:PF00809", + "label": "GeneFamily", + "name": "Dihydropteroate synthase" }, { - "id": "GO:0060048", + "id": "GO:0046656", "label": "BiologicalProcess", - "name": "cardiac muscle contraction" + "name": "folic acid biosynthetic process" }, { - "id": "GO:0042310", - "label": "BiologicalProcess", - "name": "vasoconstriction" + "id": "NCBITaxon:5476", + "label": "OrganismTaxon", + "name": "Candida albicans" }, { - "id": "MESH:D007022", + "id": "MESH:D014848", "label": "Disease", - "name": "Low blood pressure" + "name": "Vulvovaginitis" } ], "reference": [ - "https://go.drugbank.com/drugs/DB00610#mechanism-of-action" + "https://go.drugbank.com/drugs/DB00634#mechanism-of-action", + "https://en.wikipedia.org/wiki/Vaginitis#Infection", + "https://en.wikipedia.org/wiki/Sulfacetamide#Mechanisms_of_action" ] }, { + "comments": "This disease is denoted as Chlamydial conjunctivitis in the original file.", "directed": true, "graph": { - "_id": "DB00634_MESH_D015863_1", - "disease": "Iridocyclitis", - "disease_mesh": "MESH:D015863", + "_id": "DB00634_MESH_D003235_1", + "disease": "Conjunctivitis, Inclusion", + "disease_mesh": "MESH:D003235", "drug": "sulfacetamide", "drug_mesh": "MESH:D013409", "drugbank": "DB:DB00634" @@ -110490,12 +109949,12 @@ { "key": "in taxon", "source": "GO:0046656", - "target": "NCBITaxon:2" + "target": "NCBITaxon:813" }, { "key": "causes", - "source": "NCBITaxon:2", - "target": "MESH:D015863" + "source": "NCBITaxon:813", + "target": "MESH:D003235" } ], "multigraph": true, @@ -110516,27 +109975,28 @@ "name": "folic acid biosynthetic process" }, { - "id": "NCBITaxon:2", + "id": "NCBITaxon:813", "label": "OrganismTaxon", - "name": "Bacteria" + "name": "Chlamydia trachomatis" }, { - "id": "MESH:D015863", + "id": "MESH:D003235", "label": "Disease", - "name": "Iridocyclitis" + "name": "Conjunctivitis, Inclusion" } ], "reference": [ "https://go.drugbank.com/drugs/DB00634#mechanism-of-action", + "https://en.wikipedia.org/wiki/Chlamydia_trachomatis#Role_in_disease", "https://en.wikipedia.org/wiki/Sulfacetamide#Mechanisms_of_action" ] }, { "directed": true, "graph": { - "_id": "DB00634_MESH_D012628_1", - "disease": "Seborrheic dermatitis", - "disease_mesh": "MESH:D012628", + "_id": "DB00634_MESH_D000152_1", + "disease": "Acne vulgaris", + "disease_mesh": "MESH:D000152", "drug": "sulfacetamide", "drug_mesh": "MESH:D013409", "drugbank": "DB:DB00634" @@ -110555,12 +110015,12 @@ { "key": "in taxon", "source": "GO:0046656", - "target": "NCBITaxon:55193" + "target": "NCBITaxon:1747" }, { "key": "causes", - "source": "NCBITaxon:55193", - "target": "MESH:D012628" + "source": "NCBITaxon:1747", + "target": "MESH:D000152" } ], "multigraph": true, @@ -110581,27 +110041,27 @@ "name": "folic acid biosynthetic process" }, { - "id": "NCBITaxon:55193", + "id": "NCBITaxon:1747", "label": "OrganismTaxon", - "name": "Malassezia sp." + "name": "Cutibacterium acnes" }, { - "id": "MESH:D012628", + "id": "MESH:D000152", "label": "Disease", - "name": "Seborrheic dermatitis" + "name": "Acne vulgaris" } ], "reference": [ "https://go.drugbank.com/drugs/DB00634#mechanism-of-action", - "https://en.wikipedia.org/wiki/Sulfacetamide#Efficacy" + "https://en.wikipedia.org/wiki/Sulfacetamide#Mechanisms_of_action" ] }, { "directed": true, "graph": { - "_id": "DB00634_MESH_D014848_1", - "disease": "Vulvovaginitis", - "disease_mesh": "MESH:D014848", + "_id": "DB00634_MESH_D014605_1", + "disease": "Uveitis", + "disease_mesh": "MESH:D014605", "drug": "sulfacetamide", "drug_mesh": "MESH:D013409", "drugbank": "DB:DB00634" @@ -110620,12 +110080,12 @@ { "key": "in taxon", "source": "GO:0046656", - "target": "NCBITaxon:5476" + "target": "NCBITaxon:562" }, { "key": "causes", - "source": "NCBITaxon:5476", - "target": "MESH:D014848" + "source": "NCBITaxon:562", + "target": "MESH:D014605" } ], "multigraph": true, @@ -110646,225 +110106,27 @@ "name": "folic acid biosynthetic process" }, { - "id": "NCBITaxon:5476", + "id": "NCBITaxon:562", "label": "OrganismTaxon", - "name": "Candida albicans" + "name": "Escherichia coli" }, { - "id": "MESH:D014848", + "id": "MESH:D014605", "label": "Disease", - "name": "Vulvovaginitis" + "name": "Uveitis" } ], "reference": [ "https://go.drugbank.com/drugs/DB00634#mechanism-of-action", - "https://en.wikipedia.org/wiki/Vaginitis#Infection", "https://en.wikipedia.org/wiki/Sulfacetamide#Mechanisms_of_action" ] }, { - "comments": "This disease is denoted as Chlamydial conjunctivitis in the original file.", "directed": true, "graph": { - "_id": "DB00634_MESH_D003235_1", - "disease": "Conjunctivitis, Inclusion", - "disease_mesh": "MESH:D003235", - "drug": "sulfacetamide", - "drug_mesh": "MESH:D013409", - "drugbank": "DB:DB00634" - }, - "links": [ - { - "key": "decreases activity of", - "source": "MESH:D013409", - "target": "Pfam:PF00809" - }, - { - "key": "positively correlated with", - "source": "Pfam:PF00809", - "target": "GO:0046656" - }, - { - "key": "in taxon", - "source": "GO:0046656", - "target": "NCBITaxon:813" - }, - { - "key": "causes", - "source": "NCBITaxon:813", - "target": "MESH:D003235" - } - ], - "multigraph": true, - "nodes": [ - { - "id": "MESH:D013409", - "label": "Drug", - "name": "sulfacetamide" - }, - { - "id": "Pfam:PF00809", - "label": "GeneFamily", - "name": "Dihydropteroate synthase" - }, - { - "id": "GO:0046656", - "label": "BiologicalProcess", - "name": "folic acid biosynthetic process" - }, - { - "id": "NCBITaxon:813", - "label": "OrganismTaxon", - "name": "Chlamydia trachomatis" - }, - { - "id": "MESH:D003235", - "label": "Disease", - "name": "Conjunctivitis, Inclusion" - } - ], - "reference": [ - "https://go.drugbank.com/drugs/DB00634#mechanism-of-action", - "https://en.wikipedia.org/wiki/Chlamydia_trachomatis#Role_in_disease", - "https://en.wikipedia.org/wiki/Sulfacetamide#Mechanisms_of_action" - ] - }, - { - "directed": true, - "graph": { - "_id": "DB00634_MESH_D000152_1", - "disease": "Acne vulgaris", - "disease_mesh": "MESH:D000152", - "drug": "sulfacetamide", - "drug_mesh": "MESH:D013409", - "drugbank": "DB:DB00634" - }, - "links": [ - { - "key": "decreases activity of", - "source": "MESH:D013409", - "target": "Pfam:PF00809" - }, - { - "key": "positively correlated with", - "source": "Pfam:PF00809", - "target": "GO:0046656" - }, - { - "key": "in taxon", - "source": "GO:0046656", - "target": "NCBITaxon:1747" - }, - { - "key": "causes", - "source": "NCBITaxon:1747", - "target": "MESH:D000152" - } - ], - "multigraph": true, - "nodes": [ - { - "id": "MESH:D013409", - "label": "Drug", - "name": "sulfacetamide" - }, 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+ ], + "reference": [ + "https://go.drugbank.com/drugs/DB01291" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01291_MESH_D008171_1", + "disease": "Disorder of lung", + "disease_mesh": "MESH:D008171", + "drug": "pirbuterol", + "drug_mesh": "MESH:C009118", + "drugbank": "DB:DB01291" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:C009118", + "target": "UniProt:P07550" + }, + { + "key": "positively regulates", + "source": "UniProt:P07550", + "target": "UniProt:B7Z2C7" + }, + { + "key": "increases abundance of", + "source": "UniProt:B7Z2C7", + "target": "CHEBI:17489" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17489", + "target": "GO:0044557" + }, + { + "key": "located in", + "source": "GO:0044557", + "target": "UBERON:0002187" + }, + { + "key": "affected by", + "source": "UBERON:0002187", + "target": "MESH:D008171" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C009118", + "label": "Drug", + "name": "Pirbuterol" + 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"MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01580#BE0000172" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01580_MESH_D001007_1", + "disease": "Anxiety", + "disease_mesh": "MESH:D001007", + "drug": "oxprenolol", + "drug_mesh": "MESH:D010096", + "drugbank": "DB:DB01580" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D010096", + "target": "UniProt:P08588" + }, + { + "key": "decreases activity of", + "source": "MESH:D010096", + "target": "UniProt:P07550" + }, + { + "key": "positively correlated with", + "source": "UniProt:P08588", + "target": "MESH:D004837" + }, + { + "key": "positively correlated with", + "source": "UniProt:P07550", + "target": "MESH:D004837" + }, + { + "key": "positively correlated with", + "source": "MESH:D004837", + "target": "HP:0100852" + }, + { + "key": "manifestation of", + "source": "HP:0100852", + "target": "MESH:D001007" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010096", + "label": "Drug", + "name": "Oxprenolol" + }, + { + "id": "UniProt:P08588", + "label": "Protein", + "name": "Beta-1 adrenergic receptor" + }, + { + "id": "UniProt:P07550", + "label": "Protein", + "name": "Beta-2 adrenergic receptor" + }, + { + "id": "HP:0100852", + "label": "PhenotypicFeature", + "name": "Abnormal fear/anxiety-related behavior" + }, + { + "id": "MESH:D004837", + "label": "ChemicalSubstance", + "name": "Epinephrine" + }, + { + "id": "MESH:D001007", + "label": "Disease", + "name": "Anxiety" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01580#BE0000172" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB13163_MESH_D003371_1", + "disease": "Cough", + "disease_mesh": "MESH:D003371", + "drug": "terpin", + "drug_mesh": "MESH:C005804", + "drugbank": "DB:DB13163" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C005804", + "target": "UBERON:0000912" + }, + { + "key": "positively correlated with", + "source": "UBERON:0000912", + "target": "MESH:D003371" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005804", + "label": "Drug", + "name": "Terpin" + }, + { + "id": "UBERON:0000912", + "label": "GrossAnatomicalStructure", + "name": "Mucus" + }, + { + "id": "MESH:D003371", + "label": "Disease", + "name": "Cough" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB13163" + ] } ] \ No newline at end of file diff --git a/indication_paths.yaml b/indication_paths.yaml index 6ab1a8804..43f300b04 100644 --- a/indication_paths.yaml +++ b/indication_paths.yaml @@ -11424,53 +11424,6 @@ name: Urinary tract infectious disease reference: - https://go.drugbank.com/drugs/DB00994#mechanism-of-action -- directed: true - graph: - _id: DB00994_MESH_D014552_2 - disease: Urinary tract infectious disease - disease_mesh: MESH:D014552 - drug: neomycin - drug_mesh: MESH:D009355 - drugbank: DB:DB00994 - links: - - key: decreases activity of - source: MESH:D009355 - target: MESH:D012336 - - key: participates in - source: MESH:D012336 - target: GO:0048027 - - key: precedes - source: GO:0048027 - target: GO:0006412 - - key: in taxon - source: GO:0006412 - target: NCBITaxon:562 - - key: causes - source: NCBITaxon:562 - target: MESH:D014552 - multigraph: true - nodes: - - id: MESH:D009355 - label: Drug - name: neomycin - - id: MESH:D012336 - label: CellularComponent - name: RNA, Ribosomal, 16S - - id: GO:0048027 - label: MolecularActivity - name: mRNA 5-UTR binding - - id: GO:0006412 - label: BiologicalProcess - name: translation - - id: NCBITaxon:562 - label: OrganismTaxon - name: Escherichia coli - - id: MESH:D014552 - label: Disease - name: Urinary tract infectious disease - reference: - - https://go.drugbank.com/drugs/DB00994#mechanism-of-action - - https://en.wikipedia.org/wiki/Urinary_tract_infection#Cause - directed: true graph: _id: DB00994_MESH_D010032_1 @@ -11511,52 +11464,6 @@ name: Otitis externa reference: - https://go.drugbank.com/drugs/DB00994#mechanism-of-action -- directed: true - graph: - _id: DB00994_MESH_D010032_2 - disease: Otitis externa - disease_mesh: MESH:D010032 - drug: neomycin - drug_mesh: MESH:D009355 - drugbank: DB:DB00994 - links: - - key: decreases activity of - source: MESH:D009355 - target: MESH:D012336 - - key: participates in - source: MESH:D012336 - target: GO:0048027 - - key: precedes - source: GO:0048027 - target: GO:0006412 - - key: in taxon - source: GO:0006412 - target: NCBITaxon:2 - - key: causes - source: NCBITaxon:2 - target: MESH:D010032 - multigraph: true - nodes: - - id: MESH:D009355 - label: Drug - name: neomycin - - id: MESH:D012336 - label: CellularComponent - name: RNA, Ribosomal, 16S - - id: GO:0048027 - label: MolecularActivity - name: mRNA 5-UTR binding - - id: GO:0006412 - label: BiologicalProcess - name: translation - - id: NCBITaxon:2 - label: OrganismTaxon - name: Bacteria - - id: MESH:D010032 - label: Disease - name: Otitis externa - reference: - - https://go.drugbank.com/drugs/DB00994#mechanism-of-action - directed: true graph: _id: DB00994_MESH_D014605_1 @@ -11597,52 +11504,6 @@ name: Uveitis reference: - https://go.drugbank.com/drugs/DB00994#mechanism-of-action -- directed: true - graph: - _id: DB00994_MESH_D014605_2 - disease: Uveitis - disease_mesh: MESH:D014605 - drug: neomycin - drug_mesh: MESH:D009355 - drugbank: DB:DB00994 - links: - - key: decreases activity of - source: MESH:D009355 - target: MESH:D012336 - - key: participates in - source: MESH:D012336 - target: GO:0048027 - - key: precedes - source: GO:0048027 - target: GO:0006412 - - key: in taxon - source: GO:0006412 - target: NCBITaxon:562 - - key: causes - source: NCBITaxon:562 - target: MESH:D014605 - multigraph: true - nodes: - - id: MESH:D009355 - label: Drug - name: neomycin - - id: MESH:D012336 - label: CellularComponent - name: RNA, Ribosomal, 16S - - id: GO:0048027 - label: MolecularActivity - name: mRNA 5-UTR binding - - id: GO:0006412 - label: BiologicalProcess - name: translation - - id: NCBITaxon:562 - label: OrganismTaxon - name: Escherichia coli - - id: MESH:D014605 - label: Disease - name: Uveitis - reference: - - https://go.drugbank.com/drugs/DB00994#mechanism-of-action - directed: true graph: _id: DB00994_MESH_D006501_1 @@ -11689,61 +11550,6 @@ name: Hepatic encephalopathy reference: - https://go.drugbank.com/drugs/DB00994#mechanism-of-action -- directed: true - graph: - _id: DB00994_MESH_D006501_2 - disease: Hepatic encephalopathy - disease_mesh: MESH:D006501 - drug: neomycin - drug_mesh: MESH:D009355 - drugbank: DB:DB00994 - links: - - key: decreases activity of - source: MESH:D009355 - target: MESH:D012336 - - key: participates in - source: MESH:D012336 - target: GO:0048027 - - key: in taxon - source: GO:0048027 - target: NCBITaxon:562 - - key: correlated with - source: NCBITaxon:562 - target: GO:0097272 - - key: prevents - source: GO:0097272 - target: HP:0001987 - - key: causes - source: HP:0001987 - target: MESH:D006501 - multigraph: true - nodes: - - id: MESH:D009355 - label: Drug - name: neomycin - - id: MESH:D012336 - label: CellularComponent - name: RNA, Ribosomal, 16S - - id: GO:0048027 - label: MolecularActivity - name: mRNA 5-UTR binding - - id: NCBITaxon:562 - label: OrganismTaxon - name: Escherichia coli - - id: GO:0097272 - label: BiologicalProcess - name: ammonium homeostasis - - id: GO:0097272 - label: BiologicalProcess - name: ammonium homeostasis - - id: HP:0001987 - label: PhenotypicFeature - name: Hyperammonemia - - id: MESH:D006501 - label: Disease - name: Hepatic encephalopathy - reference: - - https://go.drugbank.com/drugs/DB00994#mechanism-of-action - directed: true graph: _id: DB01307_MESH_D003920_1 @@ -60268,108 +60074,6 @@ - https://en.wikipedia.org/wiki/Hereditary_angioedema - https://en.wikipedia.org/wiki/Complement_system#Regulation - https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3666183/ -- comments: If the bile duct (or biliary tract) is obstructed and it leads to jaundice, - uncontrolled bleeding may result. In this case, vitamin K would prevent complications - due to hemorrhage. Vitamin K allows for prothrombin to bind calcium, as part - of a blood clotting process to stop life-threatening hemorrhage. Note that - marketing for this drug has been discontinued and is not available in North - America due to its likely carcinogenic potential and cytotoxic properties. - directed: true - graph: - _id: DB06718_MESH_D041781_1 - disease: Obstructive hyperbilirubinemia - disease_mesh: MESH:D041781 - drug: menadiol sodium diphosphate - drug_mesh: null - drugbank: DB:DB06718 - links: - - key: positively regulates - source: DB:DB06718 - target: UniProt:P00734 - - key: positively regulates - source: DB:DB06718 - target: UniProt:P08709 - - key: positively regulates - source: DB:DB06718 - target: UniProt:P00740 - - key: positively regulates - source: DB:DB06718 - target: UniProt:P00742 - - key: positively regulates - source: DB:DB06718 - target: UniProt:P04070 - - key: positively regulates - source: DB:DB06718 - target: UniProt:P38435 - - key: positively regulates - source: DB:DB06718 - target: UniProt:P07225 - - key: regulates - source: UniProt:P07225 - target: GO:0007596 - - key: positively regulates - source: UniProt:P38435 - target: GO:0007596 - - key: regulates - source: UniProt:P04070 - target: GO:0007596 - - key: positively regulates - source: UniProt:P00742 - target: GO:0007596 - - key: positively regulates - source: UniProt:P00740 - target: GO:0007596 - - key: positively regulates - source: UniProt:P08709 - target: GO:0007596 - - key: positively regulates - source: UniProt:P00734 - target: GO:0007596 - - key: prevents - source: GO:0007596 - target: HP:0011029 - - key: manifestation of - source: HP:0011029 - target: MESH:D041781 - multigraph: true - nodes: - - id: DB:DB06718 - label: Drug - name: menadiol sodium diphosphate - - id: UniProt:P00734 - label: Protein - name: Prothrombin - - id: UniProt:P08709 - label: Protein - name: Coagulation factor VII - - id: UniProt:P00740 - label: Protein - name: Coagulation factor IX - - id: UniProt:P00742 - label: Protein - name: Coagulation factor X - - id: UniProt:P04070 - label: Protein - name: Vitamin K-dependent protein C - - id: UniProt:P38435 - label: Protein - name: Vitamin K-dependent gamma-carboxylase - - id: UniProt:P07225 - label: Protein - name: Vitamin K-dependent protein S - - id: GO:0007596 - label: BiologicalProcess - name: blood coagulation - - id: HP:0011029 - label: PhenotypicFeature - name: Internal hemorrhage - - id: MESH:D041781 - label: Disease - name: Obstructive hyperbilirubinemia - reference: - - https://journals.sagepub.com/doi/abs/10.3181/00379727-37-9668P - - https://www.medicalnewstoday.com/articles/165749#complications - - https://en.wikipedia.org/wiki/Vitamin_K#History - comments: Marketing for this drug has been discontinued and is not available in North America due to its likely carcinogenic potential and cytotoxic properties. directed: true @@ -69228,176 +68932,6 @@ reference: - https://go.drugbank.com/drugs/DB06768#mechanismofaction - https://pubchem.ncbi.nlm.nih.gov/compound/Ammonium-lactate#section=Pharmacology-and-Biochemistry -- directed: true - graph: - _id: DB00484_MESH_D005902_3 - disease: Open-angle glaucoma - disease_mesh: MESH:D005902 - drug: timolol - drug_mesh: MESH:D013999 - drugbank: DB:DB00484 - links: - - key: decreases activity of - source: MESH:D013999 - target: UniProt:P07550 - - key: decreases activity of - source: MESH:D013999 - target: UniProt:P08588 - - key: participates in - source: UniProt:P07550 - target: REACT:R-HSA-418555 - - key: participates in - source: UniProt:P08588 - target: REACT:R-HSA-418555 - - key: increases abundance of - source: REACT:R-HSA-418555 - target: CHEBI:17489 - - key: positively correlated with - source: CHEBI:17489 - target: UBERON:0001796 - - key: positively correlated with - source: UBERON:0001796 - target: HP:0007906 - - key: positively correlated with - source: HP:0007906 - target: MESH:D005902 - multigraph: true - nodes: - - id: MESH:D013999 - label: Drug - name: timolol - - id: UniProt:P08588 - label: Protein - name: Beta-1 adrenergic receptor - - id: UniProt:P07550 - label: Protein - name: Beta-2 adrenergic receptor - - id: REACT:R-HSA-418555 - label: Pathway - name: G alpha (s) signalling events - - id: CHEBI:17489 - label: ChemicalSubstance - name: 3,5-cyclic AMP - - id: UBERON:0001796 - label: GrossAnatomicalStructure - name: aqueous humor of eyeball - - id: HP:0007906 - label: PhenotypicFeature - name: Ocular Hypertension - - id: MESH:D005902 - label: Disease - name: Open-angle glaucoma - reference: - - https://go.drugbank.com/drugs/DB00373#mechanism-of-action - - https://en.wikipedia.org/wiki/Timolol#Eye_drops - - https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5342868/ -- directed: true - graph: - _id: DB00484_MESH_D006973_1 - disease: Hypertensive disorder - disease_mesh: MESH:D006973 - drug: timolol - drug_mesh: MESH:D013999 - drugbank: DB:DB00484 - links: - - key: decreases activity of - source: MESH:D013999 - target: InterPro:cd15058 - - key: positively regulates - source: InterPro:cd15058 - target: UBERON:0000013 - - key: positively correlated with - source: UBERON:0000013 - target: UBERON:0018229 - - key: positively correlated with - source: UBERON:0018229 - target: HP:0032263 - - key: positively correlated with - source: HP:0032263 - target: MESH:D006973 - multigraph: true - nodes: - - id: MESH:D013999 - label: Drug - name: timolol - - id: InterPro:cd15058 - label: GeneFamily - name: beta adrenergic receptors (adenoceptors), member of the class A family - of seven-transmembrane G protein-coupled receptors - - id: UBERON:0000013 - label: GrossAnatomicalStructure - name: sympathetic nervous system - - id: UBERON:0018229 - label: GrossAnatomicalStructure - name: renin-angiotensin system - - id: HP:0032263 - label: PhenotypicFeature - name: Increased blood pressure - - id: MESH:D006973 - label: Disease - name: Hypertensive disorder - reference: - - https://go.drugbank.com/drugs/DB00373#mechanism-of-action - - https://pubchem.ncbi.nlm.nih.gov/compound/33624#section=Pharmacology-and-Biochemistry - - https://en.wikipedia.org/wiki/Beta_blocker#%CE%B2-receptor_antagonism -- directed: true - graph: - _id: DB00484_MESH_D009798_3 - disease: Ocular hypertension - disease_mesh: MESH:D009798 - drug: timolol - drug_mesh: MESH:D013999 - drugbank: DB:DB00484 - links: - - key: decreases activity of - source: MESH:D013999 - target: UniProt:P07550 - - key: decreases activity of - source: MESH:D013999 - target: UniProt:P08588 - - key: participates in - source: UniProt:P07550 - target: REACT:R-HSA-418555 - - key: participates in - source: UniProt:P08588 - target: REACT:R-HSA-418555 - - key: increases abundance of - source: REACT:R-HSA-418555 - target: CHEBI:17489 - - key: positively correlated with - source: CHEBI:17489 - target: UBERON:0001796 - - key: positively correlated with - source: UBERON:0001796 - target: MESH:D009798 - multigraph: true - nodes: - - id: MESH:D013999 - label: Drug - name: timolol - - id: UniProt:P08588 - label: Protein - name: Beta-1 adrenergic receptor - - id: UniProt:P07550 - label: Protein - name: Beta-2 adrenergic receptor - - id: REACT:R-HSA-418555 - label: Pathway - name: G alpha (s) signalling events - - id: CHEBI:17489 - label: ChemicalSubstance - name: 3,5-cyclic AMP - - id: UBERON:0001796 - label: GrossAnatomicalStructure - name: aqueous humor of eyeball - - id: MESH:D009798 - label: Disease - name: Ocular hypertension - reference: - - https://go.drugbank.com/drugs/DB00373#mechanism-of-action - - https://en.wikipedia.org/wiki/Timolol#Eye_drops - - https://en.wikipedia.org/wiki/Ocular_hypertension#Treatment - - https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5342868/ - directed: true graph: _id: DB00610_MESH_D007022_1 @@ -137286,3 +136820,997 @@ reference: - https://go.drugbank.com/drugs/DB09027 - https://en.wikipedia.org/wiki/Ledipasvir#Mechanism_of_action +- directed: true + graph: + _id: DB00335_MESH_D009203_1 + disease: Myocardial infarction + disease_mesh: MESH:D009203 + drug: atenolol + drug_mesh: MESH:D001262 + drugbank: DB:DB00335 + links: + - key: decreases activity of + source: MESH:D001262 + target: UniProt:P08588 + - key: positively regulates + source: UniProt:P08588 + target: UniProt:P00797 + - key: positively regulates + source: UniProt:P08588 + target: GO:0042310 + - key: positively regulates + source: UniProt:P00797 + target: GO:0042310 + - key: positively correlated with + source: GO:0042310 + target: HP:0032263 + - key: affects risk for + source: HP:0032263 + target: MESH:D009203 + - key: affects risk for + source: GO:0042310 + target: HP:0033401 + - key: located in + source: HP:0033401 + target: UBERON:0000948 + - key: location of + source: UBERON:0000948 + target: MESH:D009203 + multigraph: true + nodes: + - id: MESH:D001262 + label: Drug + name: Atenolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P00797 + label: Protein + name: Renin + - id: GO:0042310 + label: BiologicalProcess + name: Vasoconstriction + - id: HP:0032263 + label: PhenotypicFeature + name: Increased blood pressure + - id: HP:0033401 + label: PhenotypicFeature + name: Tissue ischemia + - id: UBERON:0000948 + label: GrossAnatomicalStructure + name: Heart + - id: MESH:D009203 + label: Disease + name: Myocardial infarction + reference: + - https://go.drugbank.com/drugs/DB00335 + - https://en.wikipedia.org/wiki/Atenolol +- directed: true + graph: + _id: DB00335_MESH_D000787_1 + disease: Angina pectoris + disease_mesh: MESH:D000787 + drug: atenolol + drug_mesh: MESH:D001262 + drugbank: DB:DB00335 + links: + - key: decreases activity of + source: MESH:D001262 + target: UniProt:P08588 + - key: positively regulates + source: UniProt:P08588 + target: UniProt:P00797 + - key: positively regulates + source: UniProt:P08588 + target: GO:0042310 + - key: positively regulates + source: UniProt:P00797 + target: GO:0042310 + - key: negatively correlated with + source: GO:0042310 + target: GO:0060087 + - key: ameliorates + source: GO:0060087 + target: MESH:D000787 + multigraph: true + nodes: + - id: MESH:D001262 + label: Drug + name: Atenolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P00797 + label: Protein + name: Renin + - id: GO:0042310 + label: BiologicalProcess + name: Vasoconstriction + - id: GO:0060087 + label: BiologicalProcess + name: Relaxation of vascular associated smooth muscle + - id: MESH:D000787 + label: Disease + name: Angina pectoris + reference: + - https://go.drugbank.com/drugs/DB00335 + - https://en.wikipedia.org/wiki/Atenolol +- directed: true + graph: + _id: DB00335_MESH_D006973_1 + disease: Hypertensive disorder + disease_mesh: MESH:D006973 + drug: atenolol + drug_mesh: MESH:D001262 + drugbank: DB:DB00335 + links: + - key: decreases activity of + source: MESH:D001262 + target: UniProt:P08588 + - key: positively regulates + source: UniProt:P08588 + target: UniProt:P00797 + - key: positively regulates + source: UniProt:P08588 + target: GO:0042310 + - key: positively regulates + source: UniProt:P00797 + target: GO:0042310 + - key: affects risk for + source: GO:0042310 + target: MESH:D006973 + multigraph: true + nodes: + - id: MESH:D001262 + label: Drug + name: Atenolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P00797 + label: Protein + name: Renin + - id: GO:0042310 + label: BiologicalProcess + name: Vasoconstriction + - id: MESH:D006973 + label: Disease + name: Hypertensive disorder + reference: + - https://go.drugbank.com/drugs/DB00335 + - https://en.wikipedia.org/wiki/Atenolol +- directed: true + graph: + _id: DB00768_MESH_D065631_1 + disease: Allergic rhinitis + disease_mesh: MESH:D065631 + drug: olopatadine + drug_mesh: MESH:D000069605 + drugbank: DB:DB00768 + links: + - key: decreases activity of + source: MESH:D000069605 + target: UniProt:P35367 + - key: negatively regulates + source: MESH:D000069605 + target: GO:0043303 + - key: increases abundance of + source: GO:0043303 + target: MESH:D006632 + - key: causes + source: MESH:D006632 + target: GO:0071420 + - key: participates in + source: UniProt:P35367 + target: GO:0004969 + - key: participates in + source: GO:0004969 + target: GO:0071420 + - key: positively correlated with + source: GO:0071420 + target: GO:0006954 + - key: causes + source: GO:0006954 + target: MESH:D065631 + multigraph: true + nodes: + - id: MESH:D000069605 + label: Drug + name: Olopatadine + - id: UniProt:P35367 + label: Protein + name: Histamine H1 receptor + - id: GO:0004969 + label: MolecularActivity + name: Histamine receptor activity + - id: MESH:D006632 + label: ChemicalSubstance + name: Histamine + - id: GO:0071420 + label: BiologicalProcess + name: Cellular response to histamine + - id: GO:0006954 + label: BiologicalProcess + name: Inflammatory response + - id: GO:0043303 + label: BiologicalProcess + name: Mast cell degranulation + - id: MESH:D065631 + label: Disease + name: Allergic rhinitis + reference: + - https://en.wikipedia.org/wiki/Antihistamine#H1-antihistamines + - https://go.drugbank.com/drugs/DB00768 +- directed: true + graph: + _id: DB00768_MESH_D006255_1 + disease: Seasonal allergic rhinitis + disease_mesh: MESH:D006255 + drug: olopatadine + drug_mesh: MESH:D000069605 + drugbank: DB:DB00768 + links: + - key: decreases activity of + source: MESH:D000069605 + target: UniProt:P35367 + - key: negatively regulates + source: MESH:D000069605 + target: GO:0043303 + - key: increases abundance of + source: GO:0043303 + target: MESH:D006632 + - key: causes + source: MESH:D006632 + target: GO:0071420 + - key: participates in + source: UniProt:P35367 + target: GO:0004969 + - key: participates in + source: GO:0004969 + target: GO:0071420 + - key: positively correlated with + source: GO:0071420 + target: GO:0006954 + - key: causes + source: GO:0006954 + target: MESH:D006255 + multigraph: true + nodes: + - id: MESH:D000069605 + label: Drug + name: Olopatadine + - id: UniProt:P35367 + label: Protein + name: Histamine H1 receptor + - id: GO:0004969 + label: MolecularActivity + name: Histamine receptor activity + - id: MESH:D006632 + label: ChemicalSubstance + name: Histamine + - id: GO:0071420 + label: BiologicalProcess + name: Cellular response to histamine + - id: GO:0006954 + label: BiologicalProcess + name: Inflammatory response + - id: GO:0043303 + label: BiologicalProcess + name: Mast cell degranulation + - id: MESH:D006255 + label: Disease + name: Seasonal allergic rhinitis + reference: + - https://en.wikipedia.org/wiki/Antihistamine#H1-antihistamines + - https://go.drugbank.com/drugs/DB00768 +- directed: true + graph: + _id: DB00768_MESH_D003233_1 + disease: Allergic conjunctivitis + disease_mesh: MESH:D003233 + drug: olopatadine + drug_mesh: MESH:D000069605 + drugbank: DB:DB00768 + links: + - key: decreases activity of + source: MESH:D000069605 + target: UniProt:P35367 + - key: negatively regulates + source: MESH:D000069605 + target: GO:0043303 + - key: increases abundance of + source: GO:0043303 + target: MESH:D006632 + - key: causes + source: MESH:D006632 + target: GO:0071420 + - key: participates in + source: UniProt:P35367 + target: GO:0004969 + - key: participates in + source: GO:0004969 + target: GO:0071420 + - key: positively correlated with + source: GO:0071420 + target: GO:0006954 + - key: causes + source: GO:0006954 + target: MESH:D003233 + multigraph: true + nodes: + - id: MESH:D000069605 + label: Drug + name: Olopatadine + - id: UniProt:P35367 + label: Protein + name: Histamine H1 receptor + - id: GO:0004969 + label: MolecularActivity + name: Histamine receptor activity + - id: MESH:D006632 + label: ChemicalSubstance + name: Histamine + - id: GO:0071420 + label: BiologicalProcess + name: Cellular response to histamine + - id: GO:0006954 + label: BiologicalProcess + name: Inflammatory response + - id: GO:0043303 + label: BiologicalProcess + name: Mast cell degranulation + - id: MESH:D003233 + label: Disease + name: Allergic conjunctivitis + reference: + - https://en.wikipedia.org/wiki/Antihistamine#H1-antihistamines + - https://go.drugbank.com/drugs/DB00768 +- comment: Isotretinoin is a retinoid used to treat severe recalcitrant acne. No + MoA found on isotretinoin treating hypertensive disorder. + directed: true + graph: + _id: DB00982_MESH_D006973_1 + disease: Hypertensive disorder + disease_mesh: MESH:D006973 + drug: isotretinoin + drug_mesh: MESH:D015474 + drugbank: DB:DB00982 + links: + - key: treats + source: MESH:D015474 + target: MESH:D006973 + multigraph: true + nodes: + - id: MESH:D015474 + label: Drug + name: Isotretinoin + - id: MESH:D006973 + label: Disease + name: Hypertensive disorder + reference: + - https://go.drugbank.com/drugs/DB00982 +- directed: true + graph: + _id: DB01206_MESH_D001932_1 + disease: Neoplasm of brain + disease_mesh: MESH:D001932 + drug: lomustine + drug_mesh: MESH:D008130 + drugbank: DB:DB01206 + links: + - key: disrupts + source: MESH:D008130 + target: MESH:D004247 + - key: participates in + source: MESH:D004247 + target: GO:0006260 + - key: precedes + source: GO:0006260 + target: HP:0031377 + - key: positively correlated with + source: HP:0031377 + target: MESH:D001932 + multigraph: true + nodes: + - id: MESH:D008130 + label: Drug + name: Lomustine + - id: MESH:D004247 + label: ChemicalSubstance + name: DNA + - id: GO:0006260 + label: BiologicalProcess + name: DNA replication + - id: HP:0031377 + label: PhenotypicFeature + name: Abnormal cell proliferation + - id: MESH:D001932 + label: Disease + name: Neoplasm of brain + reference: + - https://go.drugbank.com/drugs/DB01206 +- directed: true + graph: + _id: DB01206_MESH_D006689_1 + disease: Hodgkin's disease + disease_mesh: MESH:D006689 + drug: lomustine + drug_mesh: MESH:D008130 + drugbank: DB:DB01206 + links: + - key: disrupts + source: MESH:D008130 + target: MESH:D004247 + - key: participates in + source: MESH:D004247 + target: GO:0006260 + - key: precedes + source: GO:0006260 + target: HP:0031377 + - key: positively correlated with + source: HP:0031377 + target: MESH:D006689 + multigraph: true + nodes: + - id: MESH:D008130 + label: Drug + name: Lomustine + - id: MESH:D004247 + label: ChemicalSubstance + name: DNA + - id: GO:0006260 + label: BiologicalProcess + name: DNA replication + - id: HP:0031377 + label: PhenotypicFeature + name: Abnormal cell proliferation + - id: MESH:D006689 + label: Disease + name: Hodgkin's disease + reference: + - https://go.drugbank.com/drugs/DB01206 +- directed: true + graph: + _id: DB01214_MESH_D009798_1 + disease: Ocular hypertension + disease_mesh: MESH:D009798 + drug: metipranolol + drug_mesh: MESH:D014290 + drugbank: DB:DB01214 + links: + - key: decreases activity of + source: MESH:D014290 + target: UniProt:P08588 + - key: positively regulates + source: UniProt:P08588 + target: UBERON:0001796 + - key: decreases activity of + source: MESH:D014290 + target: UniProt:P07550 + - key: positively regulates + source: UniProt:P07550 + target: UBERON:0001796 + - key: positively correlated with + source: UBERON:0001796 + target: MESH:D009798 + multigraph: true + nodes: + - id: MESH:D014290 + label: Drug + name: Metipranolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: UBERON:0001796 + label: GrossAnatomicalStructure + name: Aqueous humor of eyeball + - id: MESH:D009798 + label: Disease + name: Ocular hypertension + reference: + - https://go.drugbank.com/drugs/DB01214 +- directed: true + graph: + _id: DB01214_MESH_D005902_1 + disease: Open-angle glaucoma + disease_mesh: MESH:D005902 + drug: metipranolol + drug_mesh: MESH:D014290 + drugbank: DB:DB01214 + links: + - key: decreases activity of + source: MESH:D014290 + target: UniProt:P08588 + - key: positively regulates + source: UniProt:P08588 + target: UBERON:0001796 + - key: decreases activity of + source: MESH:D014290 + target: UniProt:P07550 + - key: positively regulates + source: UniProt:P07550 + target: UBERON:0001796 + - key: positively correlated with + source: UBERON:0001796 + target: HP:0007906 + - key: affects risk for + source: HP:0007906 + target: MESH:D005902 + multigraph: true + nodes: + - id: MESH:D014290 + label: Drug + name: Metipranolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: UBERON:0001796 + label: GrossAnatomicalStructure + name: Aqueous humor of eyeball + - id: HP:0007906 + label: PhenotypicFeature + name: Ocular Hypertension + - id: MESH:D005902 + label: Disease + name: Open-angle glaucoma + reference: + - https://go.drugbank.com/drugs/DB01214 +- directed: true + graph: + _id: DB01291_MESH_D001991_1 + disease: Bronchitis + disease_mesh: MESH:D001991 + drug: pirbuterol + drug_mesh: MESH:C009118 + drugbank: DB:DB01291 + links: + - key: increases activity of + source: MESH:C009118 + target: UniProt:P07550 + - key: increases activity of + source: UniProt:P07550 + target: InterPro:IPR030672 + - key: increases abundance of + source: InterPro:IPR030672 + target: MESH:D000242 + - key: negatively correlated with + source: MESH:D000242 + target: GO:0006939 + - key: occurs in + source: GO:0006939 + target: UBERON:0002185 + - key: affected by + source: UBERON:0002185 + target: MESH:D001991 + multigraph: true + nodes: + - id: MESH:C009118 + label: Drug + name: Pirbuterol + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: InterPro:IPR030672 + label: GeneFamily + name: Adenylate cyclase + - id: MESH:D000242 + label: ChemicalSubstance + name: Cyclic AMP + - id: GO:0006939 + label: BiologicalProcess + name: Smooth muscle contraction + - id: UBERON:0002185 + label: GrossAnatomicalStructure + name: Bronchus + - id: MESH:D001991 + label: Disease + name: Bronchitis + reference: + - https://go.drugbank.com/drugs/DB01291 +- directed: true + graph: + _id: DB01291_MESH_D001249_1 + disease: Asthma + disease_mesh: MESH:D001249 + drug: pirbuterol + drug_mesh: MESH:C009118 + drugbank: DB:DB01291 + links: + - key: increases activity of + source: MESH:C009118 + target: UniProt:P07550 + - key: increases activity of + source: UniProt:P07550 + target: InterPro:IPR030672 + - key: increases abundance of + source: InterPro:IPR030672 + target: MESH:D000242 + - key: negatively correlated with + source: MESH:D000242 + target: GO:0006939 + - key: occurs in + source: GO:0006939 + target: UBERON:0002185 + - key: affected by + source: UBERON:0002185 + target: MESH:D001249 + multigraph: true + nodes: + - id: MESH:C009118 + label: Drug + name: Pirbuterol + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: InterPro:IPR030672 + label: GeneFamily + name: Adenylate cyclase + - id: MESH:D000242 + label: ChemicalSubstance + name: Cyclic AMP + - id: GO:0006939 + label: BiologicalProcess + name: Smooth muscle contraction + - id: UBERON:0002185 + label: GrossAnatomicalStructure + name: Bronchus + - id: MESH:D001249 + label: Disease + name: Asthma + reference: + - https://go.drugbank.com/drugs/DB01291 +- directed: true + graph: + _id: DB01291_MESH_D011656_1 + disease: Pulmonary emphysema + disease_mesh: MESH:D011656 + drug: pirbuterol + drug_mesh: MESH:C009118 + drugbank: DB:DB01291 + links: + - key: positively regulates + source: MESH:C009118 + target: UniProt:P07550 + - key: positively regulates + source: UniProt:P07550 + target: UniProt:B7Z2C7 + - key: increases abundance of + source: UniProt:B7Z2C7 + target: CHEBI:17489 + - key: positively correlated with + source: CHEBI:17489 + target: GO:0044557 + - key: located in + source: GO:0044557 + target: UBERON:0002187 + - key: location of + source: UBERON:0002187 + target: MESH:D011656 + multigraph: true + nodes: + - id: MESH:C009118 + label: Drug + name: Pirbuterol + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: UniProt:B7Z2C7 + label: Protein + name: Adenylate cyclase + - id: CHEBI:17489 + label: ChemicalSubstance + name: 3',5'-cyclic AMP + - id: GO:0044557 + label: BiologicalProcess + name: Relaxation of smooth muscle + - id: UBERON:0002187 + label: GrossAnatomicalStructure + name: Terminal bronchiole + - id: MESH:D011656 + label: Disease + name: Pulmonary emphysema + reference: + - https://go.drugbank.com/drugs/DB01291 +- directed: true + graph: + _id: DB01291_MESH_D001987_1 + disease: Bronchiectasis + disease_mesh: MESH:D001987 + drug: pirbuterol + drug_mesh: MESH:C009118 + drugbank: DB:DB01291 + links: + - key: increases activity of + source: MESH:C009118 + target: UniProt:P07550 + - key: increases activity of + source: UniProt:P07550 + target: InterPro:IPR030672 + - key: increases abundance of + source: InterPro:IPR030672 + target: MESH:D000242 + - key: negatively correlated with + source: MESH:D000242 + target: GO:0006939 + - key: occurs in + source: GO:0006939 + target: UBERON:0002185 + - key: affected by + source: UBERON:0002185 + target: MESH:D001987 + multigraph: true + nodes: + - id: MESH:C009118 + label: Drug + name: Pirbuterol + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: InterPro:IPR030672 + label: GeneFamily + name: Adenylate cyclase + - id: MESH:D000242 + label: ChemicalSubstance + name: Cyclic AMP + - id: GO:0006939 + label: BiologicalProcess + name: Smooth muscle contraction + - id: UBERON:0002185 + label: GrossAnatomicalStructure + name: Bronchus + - id: MESH:D001987 + label: Disease + name: Bronchiectasis + reference: + - https://go.drugbank.com/drugs/DB01291 +- directed: true + graph: + _id: DB01291_MESH_D008171_1 + disease: Disorder of lung + disease_mesh: MESH:D008171 + drug: pirbuterol + drug_mesh: MESH:C009118 + drugbank: DB:DB01291 + links: + - key: positively regulates + source: MESH:C009118 + target: UniProt:P07550 + - key: positively regulates + source: UniProt:P07550 + target: UniProt:B7Z2C7 + - key: increases abundance of + source: UniProt:B7Z2C7 + target: CHEBI:17489 + - key: positively correlated with + source: CHEBI:17489 + target: GO:0044557 + - key: located in + source: GO:0044557 + target: UBERON:0002187 + - key: affected by + source: UBERON:0002187 + target: MESH:D008171 + multigraph: true + nodes: + - id: MESH:C009118 + label: Drug + name: Pirbuterol + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: UniProt:B7Z2C7 + label: Protein + name: Adenylate cyclase + - id: CHEBI:17489 + label: ChemicalSubstance + name: 3',5'-cyclic AMP + - id: GO:0044557 + label: BiologicalProcess + name: Relaxation of smooth muscle + - id: UBERON:0002187 + label: GrossAnatomicalStructure + name: Terminal bronchiole + - id: MESH:D008171 + label: Disease + name: Disorder of lung + reference: + - https://go.drugbank.com/drugs/DB01291 +- directed: true + graph: + _id: DB01580_MESH_D000787_1 + disease: Angina pectoris + disease_mesh: MESH:D000787 + drug: oxprenolol + drug_mesh: MESH:D010096 + drugbank: DB:DB01580 + links: + - key: decreases activity of + source: MESH:D010096 + target: UniProt:P08588 + - key: decreases activity of + source: MESH:D010096 + target: UniProt:P07550 + - key: positively regulates + source: UniProt:P08588 + target: GO:0042310 + - key: positively regulates + source: UniProt:P08588 + target: UniProt:P00797 + - key: positively regulates + source: UniProt:P07550 + target: GO:0042310 + - key: positively regulates + source: UniProt:P00797 + target: GO:0042310 + - key: affects risk for + source: GO:0042310 + target: HP:0000822 + - key: affects risk for + source: HP:0000822 + target: MESH:D000787 + multigraph: true + nodes: + - id: MESH:D010096 + label: Drug + name: Oxprenolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: UniProt:P00797 + label: Protein + name: Renin + - id: GO:0042310 + label: BiologicalProcess + name: Vasoconstriction + - id: HP:0000822 + label: PhenotypicFeature + name: Hypertension + - id: MESH:D000787 + label: Disease + name: Angina pectoris + reference: + - https://go.drugbank.com/drugs/DB01580#BE0000172 +- directed: true + graph: + _id: DB01580_MESH_D006973_1 + disease: Hypertensive disorder + disease_mesh: MESH:D006973 + drug: oxprenolol + drug_mesh: MESH:D010096 + drugbank: DB:DB01580 + links: + - key: decreases activity of + source: MESH:D010096 + target: UniProt:P08588 + - key: decreases activity of + source: MESH:D010096 + target: UniProt:P07550 + - key: positively regulates + source: UniProt:P08588 + target: GO:0042310 + - key: positively regulates + source: UniProt:P08588 + target: UniProt:P00797 + - key: positively regulates + source: UniProt:P07550 + target: GO:0042310 + - key: positively regulates + source: UniProt:P00797 + target: GO:0042310 + - key: affects risk for + source: GO:0042310 + target: HP:0000822 + - key: positively correlated with + source: HP:0000822 + target: MESH:D006973 + multigraph: true + nodes: + - id: MESH:D010096 + label: Drug + name: Oxprenolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: UniProt:P00797 + label: Protein + name: Renin + - id: GO:0042310 + label: BiologicalProcess + name: Vasoconstriction + - id: HP:0000822 + label: PhenotypicFeature + name: Hypertension + - id: MESH:D006973 + label: Disease + name: Hypertensive disorder + reference: + - https://go.drugbank.com/drugs/DB01580#BE0000172 +- directed: true + graph: + _id: DB01580_MESH_D001007_1 + disease: Anxiety + disease_mesh: MESH:D001007 + drug: oxprenolol + drug_mesh: MESH:D010096 + drugbank: DB:DB01580 + links: + - key: decreases activity of + source: MESH:D010096 + target: UniProt:P08588 + - key: decreases activity of + source: MESH:D010096 + target: UniProt:P07550 + - key: positively correlated with + source: UniProt:P08588 + target: MESH:D004837 + - key: positively correlated with + source: UniProt:P07550 + target: MESH:D004837 + - key: positively correlated with + source: MESH:D004837 + target: HP:0100852 + - key: manifestation of + source: HP:0100852 + target: MESH:D001007 + multigraph: true + nodes: + - id: MESH:D010096 + label: Drug + name: Oxprenolol + - id: UniProt:P08588 + label: Protein + name: Beta-1 adrenergic receptor + - id: UniProt:P07550 + label: Protein + name: Beta-2 adrenergic receptor + - id: HP:0100852 + label: PhenotypicFeature + name: Abnormal fear/anxiety-related behavior + - id: MESH:D004837 + label: ChemicalSubstance + name: Epinephrine + - id: MESH:D001007 + label: Disease + name: Anxiety + reference: + - https://go.drugbank.com/drugs/DB01580#BE0000172 +- directed: true + graph: + _id: DB13163_MESH_D003371_1 + disease: Cough + disease_mesh: MESH:D003371 + drug: terpin + drug_mesh: MESH:C005804 + drugbank: DB:DB13163 + links: + - key: negatively regulates + source: MESH:C005804 + target: UBERON:0000912 + - key: positively correlated with + source: UBERON:0000912 + target: MESH:D003371 + multigraph: true + nodes: + - id: MESH:C005804 + label: Drug + name: Terpin + - id: UBERON:0000912 + label: GrossAnatomicalStructure + name: Mucus + - id: MESH:D003371 + label: Disease + name: Cough + reference: + - https://go.drugbank.com/drugs/DB13163 diff --git a/submission.yaml b/submission.yaml index ddaadda1a..8b1378917 100644 --- a/submission.yaml +++ b/submission.yaml @@ -1,974 +1 @@ -- directed: true - graph: - disease: Myocardial infarction - disease_mesh: MESH:D009203 - drug: atenolol - drug_mesh: MESH:D001262 - drugbank: DB:DB00335 - links: - - key: decreases activity of - source: MESH:D001262 - target: UniProt:P08588 - - key: positively regulates - source: UniProt:P08588 - target: UniProt:P00797 - - key: positively regulates - source: UniProt:P08588 - target: GO:0042310 - - key: positively regulates - source: UniProt:P00797 - target: GO:0042310 - - key: positively correlated with - source: GO:0042310 - target: HP:0032263 - - key: affects risk for - source: HP:0032263 - target: MESH:D009203 - - key: affects risk for - source: GO:0042310 - target: HP:0033401 - - key: located in - source: HP:0033401 - target: UBERON:0000948 - - key: location of - source: UBERON:0000948 - target: MESH:D009203 - multigraph: true - nodes: - - id: MESH:D001262 - label: Drug - name: Atenolol - - id: UniProt:P08588 - label: Protein - name: Beta-1 adrenergic receptor - - id: UniProt:P00797 - label: Protein - name: Renin - - id: GO:0042310 - label: BiologicalProcess - name: Vasoconstriction - - id: HP:0032263 - label: PhenotypicFeature - name: Increased blood pressure - - id: HP:0033401 - label: PhenotypicFeature - name: Tissue ischemia - - id: UBERON:0000948 - label: GrossAnatomicalStructure - name: Heart - - id: MESH:D009203 - label: Disease - name: Myocardial infarction - reference: - - https://go.drugbank.com/drugs/DB00335 - - https://en.wikipedia.org/wiki/Atenolol -- directed: true - graph: - disease: Angina pectoris - disease_mesh: MESH:D000787 - drug: atenolol - drug_mesh: MESH:D001262 - drugbank: DB:DB00335 - links: - - key: decreases activity of - source: MESH:D001262 - target: UniProt:P08588 - - key: positively regulates - source: UniProt:P08588 - target: UniProt:P00797 - - key: positively regulates - source: UniProt:P08588 - target: GO:0042310 - - key: positively regulates - source: UniProt:P00797 - target: GO:0042310 - - key: negatively correlated with - source: GO:0042310 - target: GO:0060087 - - key: ameliorates - source: GO:0060087 - target: MESH:D000787 - multigraph: true - nodes: - - id: MESH:D001262 - label: Drug - name: Atenolol - - id: UniProt:P08588 - label: Protein - name: Beta-1 adrenergic receptor - - id: UniProt:P00797 - label: Protein - name: Renin - - id: GO:0042310 - label: BiologicalProcess - name: Vasoconstriction - - id: GO:0060087 - label: BiologicalProcess - name: Relaxation of vascular associated smooth muscle - - id: MESH:D000787 - label: Disease - name: Angina pectoris - reference: - - https://go.drugbank.com/drugs/DB00335 - - https://en.wikipedia.org/wiki/Atenolol -- directed: true - graph: - disease: Hypertensive disorder - disease_mesh: MESH:D006973 - drug: atenolol - drug_mesh: MESH:D001262 - drugbank: DB:DB00335 - links: - - key: decreases activity of - source: MESH:D001262 - target: UniProt:P08588 - - key: positively regulates - source: UniProt:P08588 - target: UniProt:P00797 - - key: positively regulates - source: UniProt:P08588 - target: GO:0042310 - - key: positively regulates - source: UniProt:P00797 - target: GO:0042310 - - key: affects risk for - source: GO:0042310 - target: MESH:D006973 - multigraph: true - nodes: - - id: MESH:D001262 - label: Drug - name: Atenolol - - id: UniProt:P08588 - label: Protein - name: Beta-1 adrenergic receptor - - id: UniProt:P00797 - label: Protein - name: Renin - - id: GO:0042310 - label: BiologicalProcess - name: Vasoconstriction - - id: MESH:D006973 - label: Disease - name: Hypertensive disorder - reference: - - https://go.drugbank.com/drugs/DB00335 - - https://en.wikipedia.org/wiki/Atenolol -- directed: true - graph: - disease: Allergic rhinitis - disease_mesh: MESH:D065631 - drug: olopatadine - drug_mesh: MESH:D000069605 - drugbank: DB:DB00768 - links: - - key: decreases activity of - source: MESH:D000069605 - target: UniProt:P35367 - - key: negatively regulates - source: MESH:D000069605 - target: GO:0043303 - - key: increases abundance of - source: GO:0043303 - target: MESH:D006632 - - key: causes - source: MESH:D006632 - target: GO:0071420 - - key: participates in - source: UniProt:P35367 - target: GO:0004969 - - key: participates in - source: GO:0004969 - target: GO:0071420 - - key: positively correlated with - source: GO:0071420 - target: GO:0006954 - - key: causes - source: GO:0006954 - target: MESH:D065631 - multigraph: true - nodes: - - id: MESH:D000069605 - label: Drug - name: Olopatadine - - id: UniProt:P35367 - label: Protein - name: Histamine H1 receptor - - id: GO:0004969 - label: MolecularActivity - name: Histamine receptor activity - - id: MESH:D006632 - label: ChemicalSubstance - name: Histamine - - id: GO:0071420 - label: BiologicalProcess - name: Cellular response to histamine - - id: GO:0006954 - label: BiologicalProcess - name: Inflammatory response - - id: GO:0043303 - label: BiologicalProcess - name: Mast cell degranulation - - id: MESH:D065631 - label: Disease - name: Allergic rhinitis - reference: - - https://en.wikipedia.org/wiki/Antihistamine#H1-antihistamines - - https://go.drugbank.com/drugs/DB00768 -- directed: true - graph: - disease: Seasonal allergic rhinitis - disease_mesh: MESH:D006255 - drug: olopatadine - drug_mesh: MESH:D000069605 - drugbank: DB:DB00768 - links: - - key: decreases activity of - source: MESH:D000069605 - target: UniProt:P35367 - - key: negatively regulates - source: MESH:D000069605 - target: GO:0043303 - - key: increases abundance of - source: GO:0043303 - target: MESH:D006632 - - key: causes - source: MESH:D006632 - target: GO:0071420 - - key: participates in - source: UniProt:P35367 - target: GO:0004969 - - key: participates in - source: GO:0004969 - target: GO:0071420 - - key: positively correlated with - source: GO:0071420 - target: GO:0006954 - - key: causes - source: GO:0006954 - target: MESH:D006255 - multigraph: true - nodes: - - id: MESH:D000069605 - label: Drug - name: Olopatadine - - id: UniProt:P35367 - label: Protein - name: Histamine H1 receptor - - id: GO:0004969 - label: MolecularActivity - name: Histamine receptor activity - - id: MESH:D006632 - label: ChemicalSubstance - name: Histamine - - id: GO:0071420 - label: BiologicalProcess - name: Cellular response to histamine - - id: GO:0006954 - label: BiologicalProcess - name: Inflammatory response - - id: GO:0043303 - label: BiologicalProcess - name: Mast cell degranulation - - id: MESH:D006255 - label: Disease - name: Seasonal allergic rhinitis - reference: - - https://en.wikipedia.org/wiki/Antihistamine#H1-antihistamines - - https://go.drugbank.com/drugs/DB00768 -- directed: true - graph: - disease: Allergic conjunctivitis - disease_mesh: MESH:D003233 - drug: olopatadine - drug_mesh: MESH:D000069605 - drugbank: DB:DB00768 - links: - - key: decreases activity of - source: MESH:D000069605 - target: UniProt:P35367 - - key: negatively regulates - source: MESH:D000069605 - target: GO:0043303 - - key: increases abundance of - source: GO:0043303 - target: MESH:D006632 - - key: causes - source: MESH:D006632 - target: GO:0071420 - - key: participates in - source: UniProt:P35367 - target: GO:0004969 - - key: participates in - source: GO:0004969 - target: GO:0071420 - - key: positively correlated with - source: GO:0071420 - target: GO:0006954 - - key: causes - source: GO:0006954 - target: MESH:D003233 - multigraph: true - nodes: - - id: MESH:D000069605 - label: Drug - name: Olopatadine - - id: UniProt:P35367 - label: Protein - name: Histamine H1 receptor - - id: GO:0004969 - label: MolecularActivity - name: Histamine receptor activity - - id: MESH:D006632 - label: ChemicalSubstance - name: Histamine - - id: GO:0071420 - label: BiologicalProcess - name: Cellular response to histamine - - id: GO:0006954 - label: BiologicalProcess - name: Inflammatory response - - id: GO:0043303 - label: BiologicalProcess - name: Mast cell degranulation - - id: MESH:D003233 - label: Disease - name: Allergic conjunctivitis - reference: - - https://en.wikipedia.org/wiki/Antihistamine#H1-antihistamines - - https://go.drugbank.com/drugs/DB00768 -- comment: Isotretinoin is a retinoid used to treat severe recalcitrant acne. No MoA found on isotretinoin - treating hypertensive disorder. - directed: true - graph: - disease: Hypertensive disorder - disease_mesh: MESH:D006973 - drug: isotretinoin - drug_mesh: MESH:D015474 - drugbank: DB:DB00982 - links: - - key: treats - source: MESH:D015474 - target: MESH:D006973 - multigraph: true - nodes: - - id: MESH:D015474 - label: Drug - name: Isotretinoin - - id: MESH:D006973 - label: Disease - name: Hypertensive disorder - reference: - - https://go.drugbank.com/drugs/DB00982 -- directed: true - graph: - disease: Neoplasm of brain - disease_mesh: MESH:D001932 - drug: lomustine - drug_mesh: MESH:D008130 - drugbank: DB:DB01206 - links: - - key: disrupts - source: MESH:D008130 - target: MESH:D004247 - - key: participates in - source: MESH:D004247 - target: GO:0006260 - - key: precedes - source: GO:0006260 - target: HP:0031377 - - key: positively correlated with - source: HP:0031377 - target: MESH:D001932 - multigraph: true - nodes: - - id: MESH:D008130 - label: Drug - name: Lomustine - - id: MESH:D004247 - label: ChemicalSubstance - name: DNA - - id: GO:0006260 - label: BiologicalProcess - name: DNA replication - - id: HP:0031377 - label: PhenotypicFeature - name: Abnormal cell proliferation - - id: MESH:D001932 - label: Disease - name: Neoplasm of brain - reference: - - https://go.drugbank.com/drugs/DB01206 -- directed: true - graph: - disease: Hodgkin's disease - disease_mesh: MESH:D006689 - drug: lomustine - drug_mesh: MESH:D008130 - drugbank: DB:DB01206 - links: - - key: disrupts - source: MESH:D008130 - target: MESH:D004247 - - key: participates in - source: MESH:D004247 - target: GO:0006260 - - key: precedes - source: GO:0006260 - target: HP:0031377 - - key: positively correlated with - source: HP:0031377 - target: MESH:D006689 - multigraph: true - nodes: - - id: MESH:D008130 - label: Drug - name: Lomustine - - id: MESH:D004247 - label: ChemicalSubstance - name: DNA - - id: GO:0006260 - label: BiologicalProcess - name: DNA replication - - id: HP:0031377 - label: PhenotypicFeature - name: Abnormal cell proliferation - - id: MESH:D006689 - label: Disease - name: Hodgkin's disease - reference: - - https://go.drugbank.com/drugs/DB01206 -- directed: true - graph: - disease: Ocular hypertension - disease_mesh: MESH:D009798 - drug: metipranolol - drug_mesh: MESH:D014290 - drugbank: DB:DB01214 - links: - - key: decreases activity of - source: MESH:D014290 - target: UniProt:P08588 - - key: positively regulates - source: UniProt:P08588 - target: UBERON:0001796 - - key: decreases activity of - source: MESH:D014290 - target: UniProt:P07550 - - key: positively regulates - source: UniProt:P07550 - target: UBERON:0001796 - - key: positively correlated with - source: UBERON:0001796 - target: MESH:D009798 - multigraph: true - nodes: - - id: MESH:D014290 - label: Drug - name: Metipranolol - - id: UniProt:P08588 - label: Protein - name: Beta-1 adrenergic receptor - - id: UniProt:P07550 - label: Protein - name: Beta-2 adrenergic receptor - - id: UBERON:0001796 - label: GrossAnatomicalStructure - name: Aqueous humor of eyeball - - id: MESH:D009798 - label: Disease - name: Ocular hypertension - reference: - - https://go.drugbank.com/drugs/DB01214 -- directed: true - graph: - disease: Open-angle glaucoma - disease_mesh: MESH:D005902 - drug: metipranolol - drug_mesh: MESH:D014290 - drugbank: DB:DB01214 - links: - - key: decreases activity of - source: MESH:D014290 - target: UniProt:P08588 - - key: positively regulates - source: UniProt:P08588 - target: UBERON:0001796 - - key: decreases activity of - source: MESH:D014290 - target: UniProt:P07550 - - key: positively regulates - source: UniProt:P07550 - target: UBERON:0001796 - - key: positively correlated with - source: UBERON:0001796 - target: HP:0007906 - - key: affects risk for - source: HP:0007906 - target: MESH:D005902 - multigraph: true - nodes: - - id: MESH:D014290 - label: Drug - name: Metipranolol - - id: UniProt:P08588 - label: Protein - name: Beta-1 adrenergic receptor - - id: UniProt:P07550 - label: Protein - name: Beta-2 adrenergic receptor - - id: UBERON:0001796 - label: GrossAnatomicalStructure - name: Aqueous humor of eyeball - - id: HP:0007906 - label: PhenotypicFeature - name: Ocular Hypertension - - id: MESH:D005902 - label: Disease - name: Open-angle glaucoma - reference: - - https://go.drugbank.com/drugs/DB01214 -- directed: true - graph: - disease: Bronchitis - disease_mesh: MESH:D001991 - drug: pirbuterol - drug_mesh: MESH:C009118 - drugbank: DB:DB01291 - links: - - key: increases activity of - source: MESH:C009118 - target: UniProt:P07550 - - key: increases activity of - source: UniProt:P07550 - target: InterPro:IPR030672 - - key: increases abundance of - source: InterPro:IPR030672 - target: MESH:D000242 - - key: negatively correlated with - source: MESH:D000242 - target: GO:0006939 - - key: occurs in - source: GO:0006939 - target: UBERON:0002185 - - key: affected by - source: UBERON:0002185 - target: MESH:D001991 - multigraph: true - nodes: - - id: MESH:C009118 - label: Drug - name: Pirbuterol - - id: UniProt:P07550 - label: Protein - name: Beta-2 adrenergic receptor - - id: InterPro:IPR030672 - label: GeneFamily - name: Adenylate cyclase - - id: MESH:D000242 - label: ChemicalSubstance - name: Cyclic AMP - - id: GO:0006939 - label: BiologicalProcess - name: Smooth muscle contraction - - id: UBERON:0002185 - label: GrossAnatomicalStructure - name: Bronchus - - id: MESH:D001991 - label: Disease - name: Bronchitis - reference: - - https://go.drugbank.com/drugs/DB01291 -- directed: true - graph: - disease: Asthma - disease_mesh: MESH:D001249 - drug: pirbuterol - drug_mesh: MESH:C009118 - drugbank: DB:DB01291 - links: - - key: increases activity of - source: MESH:C009118 - target: UniProt:P07550 - - key: increases activity of - source: UniProt:P07550 - target: InterPro:IPR030672 - - key: increases abundance of - source: InterPro:IPR030672 - target: MESH:D000242 - - key: negatively correlated with - source: MESH:D000242 - target: GO:0006939 - - key: occurs in - source: GO:0006939 - target: UBERON:0002185 - - key: affected by - source: UBERON:0002185 - target: MESH:D001249 - multigraph: true - nodes: - - id: MESH:C009118 - label: Drug - name: Pirbuterol - - id: UniProt:P07550 - label: Protein - name: Beta-2 adrenergic receptor - - id: InterPro:IPR030672 - label: GeneFamily - name: Adenylate cyclase - - id: MESH:D000242 - label: ChemicalSubstance - name: Cyclic AMP - - id: GO:0006939 - label: BiologicalProcess - name: Smooth muscle contraction - - id: UBERON:0002185 - label: GrossAnatomicalStructure - name: Bronchus - - id: MESH:D001249 - label: Disease - name: Asthma - reference: - - https://go.drugbank.com/drugs/DB01291 -- directed: true - graph: - disease: Pulmonary emphysema - disease_mesh: MESH:D011656 - drug: pirbuterol - drug_mesh: MESH:C009118 - drugbank: DB:DB01291 - links: - - key: positively regulates - source: MESH:C009118 - target: UniProt:P07550 - - key: positively regulates - source: UniProt:P07550 - target: UniProt:B7Z2C7 - - key: increases abundance of - source: UniProt:B7Z2C7 - target: CHEBI:17489 - - key: positively correlated with - source: CHEBI:17489 - target: GO:0044557 - - key: located in - source: GO:0044557 - target: UBERON:0002187 - - key: location of - source: UBERON:0002187 - target: MESH:D011656 - multigraph: true - nodes: - - id: MESH:C009118 - label: Drug - name: Pirbuterol - - id: UniProt:P07550 - label: Protein - name: Beta-2 adrenergic receptor - - id: UniProt:B7Z2C7 - label: Protein - name: Adenylate cyclase - - id: CHEBI:17489 - label: ChemicalSubstance - name: 3',5'-cyclic AMP - - id: GO:0044557 - label: BiologicalProcess - name: Relaxation of smooth muscle - - id: UBERON:0002187 - label: GrossAnatomicalStructure - name: Terminal bronchiole - - id: MESH:D011656 - label: Disease - name: Pulmonary emphysema - reference: - - https://go.drugbank.com/drugs/DB01291 -- directed: true - graph: - disease: Bronchiectasis - disease_mesh: MESH:D001987 - drug: pirbuterol - drug_mesh: MESH:C009118 - drugbank: DB:DB01291 - links: - - key: increases activity of - source: MESH:C009118 - target: UniProt:P07550 - - key: increases activity of - source: UniProt:P07550 - target: InterPro:IPR030672 - - key: increases abundance of - source: InterPro:IPR030672 - target: MESH:D000242 - - key: negatively correlated with - source: MESH:D000242 - target: GO:0006939 - - key: occurs in - source: GO:0006939 - target: UBERON:0002185 - - key: affected by - source: UBERON:0002185 - target: MESH:D001987 - multigraph: true - nodes: - - id: MESH:C009118 - label: Drug - name: Pirbuterol - - id: UniProt:P07550 - label: Protein - name: Beta-2 adrenergic receptor - - id: InterPro:IPR030672 - label: GeneFamily - name: Adenylate cyclase - - id: MESH:D000242 - label: ChemicalSubstance - name: Cyclic AMP - - id: GO:0006939 - label: BiologicalProcess - name: Smooth muscle contraction - - id: UBERON:0002185 - label: GrossAnatomicalStructure - name: Bronchus - - id: MESH:D001987 - label: Disease - name: Bronchiectasis - reference: - - https://go.drugbank.com/drugs/DB01291 -- directed: true - graph: - disease: Disorder of lung - disease_mesh: MESH:D008171 - drug: pirbuterol - drug_mesh: MESH:C009118 - drugbank: DB:DB01291 - links: - - key: positively regulates - source: MESH:C009118 - target: UniProt:P07550 - - key: positively regulates - source: UniProt:P07550 - target: UniProt:B7Z2C7 - - key: increases abundance of - source: UniProt:B7Z2C7 - target: CHEBI:17489 - - key: positively correlated with - source: CHEBI:17489 - target: GO:0044557 - - key: located in - source: GO:0044557 - target: UBERON:0002187 - - key: affected by - source: UBERON:0002187 - target: MESH:D008171 - multigraph: true - nodes: - - id: MESH:C009118 - label: Drug - name: Pirbuterol - - id: UniProt:P07550 - label: Protein - name: Beta-2 adrenergic receptor - - id: UniProt:B7Z2C7 - label: Protein - name: Adenylate cyclase - - id: CHEBI:17489 - label: ChemicalSubstance - name: 3',5'-cyclic AMP - - id: GO:0044557 - label: BiologicalProcess - name: Relaxation of smooth muscle - - id: UBERON:0002187 - label: GrossAnatomicalStructure - name: Terminal bronchiole - - id: MESH:D008171 - label: Disease - name: Disorder of lung - reference: - - https://go.drugbank.com/drugs/DB01291 -- directed: true - graph: - disease: Angina pectoris - disease_mesh: MESH:D000787 - drug: oxprenolol - drug_mesh: MESH:D010096 - drugbank: DB:DB01580 - links: - - key: decreases activity of - source: MESH:D010096 - target: UniProt:P08588 - - key: decreases activity of - source: MESH:D010096 - target: UniProt:P07550 - - key: positively regulates - source: UniProt:P08588 - target: GO:0042310 - - key: positively regulates - source: UniProt:P08588 - target: UniProt:P00797 - - key: positively regulates - source: UniProt:P07550 - target: GO:0042310 - - key: positively regulates - source: UniProt:P00797 - target: GO:0042310 - - key: affects risk for - source: GO:0042310 - target: HP:0000822 - - key: affects risk for - source: HP:0000822 - target: MESH:D000787 - multigraph: true - nodes: - - id: MESH:D010096 - label: Drug - name: Oxprenolol - - id: UniProt:P08588 - label: Protein - name: Beta-1 adrenergic receptor - - id: UniProt:P07550 - label: Protein - name: Beta-2 adrenergic receptor - - id: UniProt:P00797 - label: Protein - name: Renin - - id: GO:0042310 - label: BiologicalProcess - name: Vasoconstriction - - id: HP:0000822 - label: PhenotypicFeature - name: Hypertension - - id: MESH:D000787 - label: Disease - name: Angina pectoris - reference: - - https://go.drugbank.com/drugs/DB01580#BE0000172 -- directed: true - graph: - disease: Hypertensive disorder - disease_mesh: MESH:D006973 - drug: oxprenolol - drug_mesh: MESH:D010096 - drugbank: DB:DB01580 - links: - - key: decreases activity of - source: MESH:D010096 - target: UniProt:P08588 - - key: decreases activity of - source: MESH:D010096 - target: UniProt:P07550 - - key: positively regulates - source: UniProt:P08588 - target: GO:0042310 - - key: positively regulates - source: UniProt:P08588 - target: UniProt:P00797 - - key: positively regulates - source: UniProt:P07550 - target: GO:0042310 - - key: positively regulates - source: UniProt:P00797 - target: GO:0042310 - - key: affects risk for - source: GO:0042310 - target: HP:0000822 - - key: positively correlated with - source: HP:0000822 - target: MESH:D006973 - multigraph: true - nodes: - - id: MESH:D010096 - label: Drug - name: Oxprenolol - - id: UniProt:P08588 - label: Protein - name: Beta-1 adrenergic receptor - - id: UniProt:P07550 - label: Protein - name: Beta-2 adrenergic receptor - - id: UniProt:P00797 - label: Protein - name: Renin - - id: GO:0042310 - label: BiologicalProcess - name: Vasoconstriction - - id: HP:0000822 - label: PhenotypicFeature - name: Hypertension - - id: MESH:D006973 - label: Disease - name: Hypertensive disorder - reference: - - https://go.drugbank.com/drugs/DB01580#BE0000172 -- directed: true - graph: - disease: Anxiety - disease_mesh: MESH:D001007 - drug: oxprenolol - drug_mesh: MESH:D010096 - drugbank: DB:DB01580 - links: - - key: decreases activity of - source: MESH:D010096 - target: UniProt:P08588 - - key: decreases activity of - source: MESH:D010096 - target: UniProt:P07550 - - key: positively correlated with - source: UniProt:P08588 - target: MESH:D004837 - - key: positively correlated with - source: UniProt:P07550 - target: MESH:D004837 - - key: positively correlated with - source: MESH:D004837 - target: HP:0100852 - - key: manifestation of - source: HP:0100852 - target: MESH:D001007 - multigraph: true - nodes: - - id: MESH:D010096 - label: Drug - name: Oxprenolol - - id: UniProt:P08588 - label: Protein - name: Beta-1 adrenergic receptor - - id: UniProt:P07550 - label: Protein - name: Beta-2 adrenergic receptor - - id: HP:0100852 - label: PhenotypicFeature - name: Abnormal fear/anxiety-related behavior - - id: MESH:D004837 - label: ChemicalSubstance - name: Epinephrine - - id: MESH:D001007 - label: Disease - name: Anxiety - reference: - - https://go.drugbank.com/drugs/DB01580#BE0000172 -- directed: true - graph: - disease: Cough - disease_mesh: MESH:D003371 - drug: terpin - drug_mesh: MESH:C005804 - drugbank: DB:DB13163 - links: - - key: negatively regulates - source: MESH:C005804 - target: UBERON:0000912 - - key: positively correlated with - source: UBERON:0000912 - target: MESH:D003371 - multigraph: true - nodes: - - id: MESH:C005804 - label: Drug - name: Terpin - - id: UBERON:0000912 - label: GrossAnatomicalStructure - name: Mucus - - id: MESH:D003371 - label: Disease - name: Cough - reference: - - https://go.drugbank.com/drugs/DB13163 + From 7a9a83fefc755a6016a45c6f1d9173e942d10ca3 Mon Sep 17 00:00:00 2001 From: AnnaTanska <65995337+TanskaAnnna@users.noreply.github.com> Date: Sun, 6 Jun 2021 10:36:13 +0100 Subject: [PATCH 5/5] Deleting paths that can not be fixed - 2nd try --- utils/deprecated_ids.txt | 1 - 1 file changed, 1 deletion(-) diff --git a/utils/deprecated_ids.txt b/utils/deprecated_ids.txt index 1d92999c6..9300a43d6 100644 --- a/utils/deprecated_ids.txt +++ b/utils/deprecated_ids.txt @@ -41,7 +41,6 @@ DB00484_MESH_D009798_3 DB00484_MESH_D005902_3 DB00484_MESH_D006973_1 DB06718_MESH_D041781_1 - DB01185_MESH_D011628_2 DB01185_MESH_D007713_2 DB01185_MESH_D003456_2