{ "n_drugs": 1278, "clusters": { "1": { "label": "Near-neutral (topology remodel, little net change)", "paper_grounded": false, "n": 110, "mean_direction": 0.024, "direction": "pro", "mean_activity": 0.12 }, "2": { "label": "Control-like / minimal effect", "paper_grounded": true, "n": 250, "mean_direction": 0.099, "direction": "pro", "mean_activity": 0.101 }, "3": { "label": "Pro-angiogenic", "paper_grounded": false, "n": 101, "mean_direction": 0.354, "direction": "pro", "mean_activity": 0.099 }, "4": { "label": "Pro-angiogenic (incl. glutamate-antagonist group)", "paper_grounded": true, "n": 165, "mean_direction": 0.292, "direction": "pro", "mean_activity": 0.134 }, "5": { "label": "Strongly pro-angiogenic", "paper_grounded": false, "n": 105, "mean_direction": 0.524, "direction": "pro", "mean_activity": 0.12 }, "6": { "label": "Pro-angiogenic", "paper_grounded": false, "n": 275, "mean_direction": 0.3, "direction": "pro", "mean_activity": 0.116 }, "7": { "label": "Tube disruption / anti-angiogenic (most active)", "paper_grounded": true, "n": 272, "mean_direction": -1.126, "direction": "anti", "mean_activity": 0.239 } }, "true_dark": [ { "drug_name": "BNTX maleate salt hydrate", "cluster": 7, "direction": "anti", "activity_magnitude": 0.464, "real_angio_pubmed_hits": 1, "active_dark_centerpiece": true }, { "drug_name": "Ziprasidone hydrochloride monohydrate", "cluster": 7, "direction": "anti", "activity_magnitude": 0.163, "real_angio_pubmed_hits": 1, "active_dark_centerpiece": true }, { "drug_name": "PHA 767491 hydrochloride", "cluster": 7, "direction": "anti", "activity_magnitude": 0.146, "real_angio_pubmed_hits": 0, "active_dark_centerpiece": true }, { "drug_name": "N2-Ethyl-2'-deoxyguanosine", "cluster": 4, "direction": "pro", "activity_magnitude": 0.127, "real_angio_pubmed_hits": 0, "active_dark_centerpiece": false }, { "drug_name": "Propantheline bromide", "cluster": 7, "direction": "anti", "activity_magnitude": 0.115, "real_angio_pubmed_hits": 0, "active_dark_centerpiece": false }, { "drug_name": "Tomoxetine", "cluster": 3, "direction": "pro", "activity_magnitude": 0.112, "real_angio_pubmed_hits": 0, "active_dark_centerpiece": false }, { "drug_name": "Dolasetron mesylate hydrate", "cluster": 3, "direction": "pro", "activity_magnitude": 0.103, "real_angio_pubmed_hits": 1, "active_dark_centerpiece": false }, { "drug_name": "CP-471474", "cluster": 4, "direction": "pro", "activity_magnitude": 0.103, "real_angio_pubmed_hits": 0, "active_dark_centerpiece": false }, { "drug_name": "CP-101537", "cluster": 1, "direction": "anti", "activity_magnitude": 0.101, "real_angio_pubmed_hits": 0, "active_dark_centerpiece": false }, { "drug_name": "Caroverine hydrochloride", "cluster": 2, "direction": "anti", "activity_magnitude": 0.095, "real_angio_pubmed_hits": 2, "active_dark_centerpiece": false }, { "drug_name": "Doxepin hydrochloride", "cluster": 2, "direction": "pro", "activity_magnitude": 0.094, "real_angio_pubmed_hits": 1, "active_dark_centerpiece": false }, { "drug_name": "CP-93129 dihydrochloride hydrate", "cluster": 1, "direction": "pro", "activity_magnitude": 0.092, "real_angio_pubmed_hits": 2, "active_dark_centerpiece": false }, { "drug_name": "Sematilide monohydrochloride monohydrate", "cluster": 6, "direction": "pro", "activity_magnitude": 0.087, "real_angio_pubmed_hits": 0, "active_dark_centerpiece": false } ], "active_dark_centerpieces": [ "BNTX maleate salt hydrate", "Ziprasidone hydrochloride monohydrate", "PHA 767491 hydrochloride" ], "kg_coverage": { "drugs_with_angio_edges": 390, "pct": 30.5, "case_study_drugs": [ { "drug_name": "Adenosine", "cluster": 7, "angio_edges": 59 }, { "drug_name": "Cilostazol", "cluster": 3, "angio_edges": 20 }, { "drug_name": "Histamine dihydrochloride", "cluster": 2, "angio_edges": 20 }, { "drug_name": "Gossypol", "cluster": 1, "angio_edges": 15 }, { "drug_name": "Raloxifene hydrochloride", "cluster": 7, "angio_edges": 14 }, { "drug_name": "(\u00b1)-Propranolol hydrochloride", "cluster": 4, "angio_edges": 14 }, { "drug_name": "Sunitinib malate", "cluster": 7, "angio_edges": 14 }, { "drug_name": "(S)-Propranolol hydrochloride", "cluster": 4, "angio_edges": 14 }, { "drug_name": "Phenylephrine hydrochloride", "cluster": 4, "angio_edges": 13 }, { "drug_name": "Atorvastatin calcium salt trihydrate", "cluster": 6, "angio_edges": 12 }, { "drug_name": "Caffeine", "cluster": 6, "angio_edges": 12 }, { "drug_name": "Resveratrol", "cluster": 2, "angio_edges": 11 } ] }, "pubmed_false_match_outliers": [ { "drug_name": "2,4-Diamino-6-pyrimidinone", "real_angio_pubmed_hits": 305729, "real_total_pubmed_hits": 0 }, { "drug_name": "N,N,N',N'-Tetramethylazodicarboxamide", "real_angio_pubmed_hits": 569, "real_total_pubmed_hits": 0 }, { "drug_name": "LY-310,762 hydrochloride", "real_angio_pubmed_hits": 407, "real_total_pubmed_hits": 0 }, { "drug_name": "(6R)-5,6,7,8-Tetrahydro-L-biopterin hydrochloride", "real_angio_pubmed_hits": 20, "real_total_pubmed_hits": 0 }, { "drug_name": "(\u00b1)-3-(3,4-dihydroxyphenyl)-2-methyl-DL-alanine", "real_angio_pubmed_hits": 18, "real_total_pubmed_hits": 0 }, { "drug_name": "2-(2-Aminoethyl)isothiourea dihydrobromide", "real_angio_pubmed_hits": 10, "real_total_pubmed_hits": 0 }, { "drug_name": "R(-)-2,10,11-Trihydroxy-N-propylnoraporphine hydrobromide", "real_angio_pubmed_hits": 2, "real_total_pubmed_hits": 0 }, { "drug_name": "R(+)-IAA-94", "real_angio_pubmed_hits": 2, "real_total_pubmed_hits": 0 } ] }