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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P08183
No. Gene UniProt ID Protein Name Pathway PDB
1 ABCB1 P08183 Multidrug resistance protein 1 hsa02010; hsa04976; hsa05206; hsa05226 NA


24 known interactions (drugs) of input target (ABCB1): Multidrug resistance protein 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB04881 Elacridar Thumb
2 Approved;
Investigational		 SmallMoleculeDrug DB14061 Hycanthone Thumb
3 Experimental SmallMoleculeDrug DB14070 HM-30181 Thumb
4 Experimental;
Investigational		 SmallMoleculeDrug DB14067 Dofequidar Thumb
5 Experimental SmallMoleculeDrug DB14064 Emopamil Thumb
6 Approved;
Investigational		 SmallMoleculeDrug DB04877 Voacamine Thumb
7 Investigational;
Nutraceutical		 SmallMoleculeDrug DB00171 ATP Thumb
8 Investigational SmallMoleculeDrug DB06191 Zosuquidar Thumb
9 Investigational SmallMoleculeDrug DB05449 FM-VP4 Thumb
10 Experimental SmallMoleculeDrug DB14063 Dexverapamil Thumb
11 Experimental SmallMoleculeDrug DB14066 Tetrandrine Thumb
12 Investigational SmallMoleculeDrug DB04905 Tesmilifene Thumb
13 Investigational SmallMoleculeDrug DB14069 ONT-093 Thumb
14 Investigational SmallMoleculeDrug DB06240 Tariquidar Thumb
15 Approved SmallMoleculeDrug DB11635 Tocofersolan Thumb
16 Experimental SmallMoleculeDrug DB14072 Reversin 121 Thumb
17 Approved;
Investigational;
Withdrawn		 SmallMoleculeDrug DB00778 Roxithromycin Thumb
18 Experimental SmallMoleculeDrug DB14065 Lomerizine Thumb
19 Experimental SmallMoleculeDrug DB14062 Concanamycin A Thumb
20 Experimental SmallMoleculeDrug DB14068 Dexniguldipine Thumb
21 Approved;
Illicit;
Investigational;
Vet approved		 SmallMoleculeDrug DB00813 Fentanyl Thumb
22 Approved;
Investigational		 SmallMoleculeDrug DB09031 Miltefosine Thumb
23 Approved;
Investigational		 SmallMoleculeDrug DB00482 Celecoxib Thumb
24 Experimental SmallMoleculeDrug DB14071 Desmethylsertraline Thumb


20 predicted interactions (drugs) of input target (ABCB1): Multidrug resistance protein 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental SmallMoleculeDrug DB04395 Phosphoaminophosphonic Acid-Adenylate Ester Thumb 34.7%
2 Approved;
Investigational		 SmallMoleculeDrug DB01032 Probenecid Thumb 31.7%
3 Approved SmallMoleculeDrug DB01016 Glyburide Thumb 31.7%
4 Experimental SmallMoleculeDrug DB04214 4-Nitrophenyl Phosphate Thumb 27.8%
5 Approved SmallMoleculeDrug DB02659 Cholic Acid Thumb 27.7%
6 Experimental SmallMoleculeDrug DB07177 (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID Thumb 25.5%
7 Approved SmallMoleculeDrug DB00277 Theophylline Thumb 24.9%
8 Approved;
Nutraceutical		 SmallMoleculeDrug DB00172 L-Proline Thumb 24.7%
9 Investigational;
Withdrawn		 SmallMoleculeDrug DB00197 Troglitazone Thumb 24.6%
10 Approved;
Investigational		 SmallMoleculeDrug DB00909 Zonisamide Thumb 24.2%
11 Approved SmallMoleculeDrug DB08907 Canagliflozin Thumb 24.0%
12 Investigational SmallMoleculeDrug DB05184 XL228 Thumb 23.5%
13 Experimental SmallMoleculeDrug DB07276 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE Thumb 23.5%
14 Approved SmallMoleculeDrug DB13179 Troleandomycin Thumb 23.3%
15 Experimental SmallMoleculeDrug DB02930 Adenosine 5'-[γ-thio]triphosphate Thumb 22.3%
16 Investigational SmallMoleculeDrug DB04851 Biricodar dicitrate Thumb 22.2%
17 Experimental SmallMoleculeDrug DB03059 Acetoacetyl-CoA Thumb 22.1%
18 Experimental SmallMoleculeDrug DB02379 Beta-D-Glucose Thumb 22.1%
19 Experimental SmallMoleculeDrug DB01782 2,6-Dihydroanthra/1,9-Cd/Pyrazol-6-One Thumb 22.0%
20 Approved;
Investigational		 SmallMoleculeDrug DB00922 Levosimendan Thumb 21.5%


  logl

Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.

Contact:

The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.