QuartataWeb
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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: P51787
No. Gene UniProt ID Protein Name Pathway PDB
1 KCNQ1 P51787 Potassium voltage-gated channel subfamily KQT member 1 hsa04261; hsa04725; hsa04971; hsa04972; hsa04974; hsa05110 3BJ4; 3HFC; 3HFE; 4UMO; 4V0C


4 known interactions (drugs) of input target (KCNQ1): Potassium voltage-gated channel subfamily KQT member 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational SmallMoleculeDrug DB06089 ICA-105665 Thumb
2 Approved;
Investigational		 SmallMoleculeDrug DB11633 Isavuconazole Thumb
3 Investigational SmallMoleculeDrug DB04957 Azimilide Thumb
4 Approved;
Withdrawn		 SmallMoleculeDrug DB01244 Bepridil Thumb


20 predicted interactions (drugs) of input target (KCNQ1): Potassium voltage-gated channel subfamily KQT member 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB01023 Felodipine Thumb 29.8%
2 Approved SmallMoleculeDrug DB00661 Verapamil Thumb 29.3%
3 Approved SmallMoleculeDrug DB00898 Ethanol Thumb 29.3%
4 Approved;
Nutraceutical		 SmallMoleculeDrug DB13961 Fish oil Thumb 28.4%
5 Approved;
Investigational		 SmallMoleculeDrug DB04953 Ezogabine Thumb 27.9%
6 Approved;
Investigational		 SmallMoleculeDrug DB00622 Nicardipine Thumb 27.1%
7 Approved SmallMoleculeDrug DB00308 Ibutilide Thumb 27.0%
8 Approved;
Investigational		 SmallMoleculeDrug DB06217 Vernakalant Thumb 26.1%
9 Approved;
Investigational		 SmallMoleculeDrug DB01118 Amiodarone Thumb 25.6%
10 Approved SmallMoleculeDrug DB01182 Propafenone Thumb 23.4%
11 Approved SmallMoleculeDrug DB00489 Sotalol Thumb 21.7%
12 Approved;
Investigational		 SmallMoleculeDrug DB01136 Carvedilol Thumb 21.5%
13 Approved SmallMoleculeDrug DB01035 Procainamide Thumb 21.3%
14 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00477 Chlorpromazine Thumb 21.0%
15 Approved SmallMoleculeDrug DB09283 Trapidil Thumb 20.7%
16 Approved;
Investigational		 SmallMoleculeDrug DB00908 Quinidine Thumb 20.0%
17 Approved SmallMoleculeDrug DB01218 Halofantrine Thumb 19.8%
18 Approved SmallMoleculeDrug DB04855 Dronedarone Thumb 19.8%
19 Approved SmallMoleculeDrug DB01100 Pimozide Thumb 19.4%
20 Approved;
Withdrawn		 SmallMoleculeDrug DB11148 Butamben Thumb 19.4%


  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.