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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: Q06520
No. Gene UniProt ID Protein Name Pathway PDB
1 SULT2A1 Q06520 Bile salt sulfotransferase hsa00980; hsa04976; hsa05204 1EFH; 1J99; 1OV4; 2QP3; 2QP4; 3F3Y; 4IFB


4 known interactions (drugs) of input target (SULT2A1): Bile salt sulfotransferase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB04445 Mercuric iodide Thumb
2 Experimental SmallMoleculeDrug DB02854 Aetiocholanolone Thumb
3 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB01708 Prasterone Thumb
4 Experimental SmallMoleculeDrug DB01812 Adenosine-3'-5'-Diphosphate Thumb


20 predicted interactions (drugs) of input target (SULT2A1): Bile salt sulfotransferase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Vet approved		 SmallMoleculeDrug DB00418 Secobarbital Thumb 30.4%
2 Approved;
Investigational		 SmallMoleculeDrug DB00996 Gabapentin Thumb 28.7%
3 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB00145 Glycine Thumb 27.8%
4 Approved;
Investigational		 SmallMoleculeDrug DB01174 Phenobarbital Thumb 27.4%
5 Approved;
Investigational		 SmallMoleculeDrug DB11582 Thiocolchicoside Thumb 26.9%
6 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB00312 Pentobarbital Thumb 26.8%
7 Approved;
Investigational		 SmallMoleculeDrug DB00659 Acamprosate Thumb 24.8%
8 Approved;
Experimental;
Investigational		 SmallMoleculeDrug DB02789 Pregnenolone Thumb 24.2%
9 Approved;
Nutraceutical		 SmallMoleculeDrug DB00128 L-Aspartic Acid Thumb 23.9%
10 Approved;
Investigational		 SmallMoleculeDrug DB01593 Zinc Thumb 22.7%
11 Approved SmallMoleculeDrug DB13146 Fluciclovine (18F) Thumb 22.5%
12 Approved SmallMoleculeDrug DB00289 Atomoxetine Thumb 21.8%
13 Experimental SmallMoleculeDrug DB03309 N-Cyclohexyltaurine Thumb 21.0%
14 Approved;
Nutraceutical		 SmallMoleculeDrug DB01956 Taurine Thumb 20.9%
15 Approved;
Nutraceutical		 SmallMoleculeDrug DB00129 Ornithine Thumb 20.7%
16 Approved SmallMoleculeDrug DB00273 Topiramate Thumb 20.5%
17 Approved;
Withdrawn		 SmallMoleculeDrug DB00431 Lindane Thumb 20.2%
18 Approved;
Investigational		 SmallMoleculeDrug DB00555 Lamotrigine Thumb 20.2%
19 Approved;
Investigational		 SmallMoleculeDrug DB06151 Acetylcysteine Thumb 19.7%
20 Approved;
Vet approved		 SmallMoleculeDrug DB01159 Halothane Thumb 19.7%


  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.