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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: O95477
No. Gene UniProt ID Protein Name Pathway PDB
1 ABCA1 O95477 ATP-binding cassette sub-family A member 1 hsa02010; hsa04975; hsa04979 NA


3 known interactions (drugs) of input target (ABCA1): ATP-binding cassette sub-family A member 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB01016 Glyburide Thumb
2 Approved;
Investigational		 SmallMoleculeDrug DB01599 Probucol Thumb
3 Investigational;
Nutraceutical		 SmallMoleculeDrug DB00171 ATP Thumb


20 predicted interactions (drugs) of input target (ABCA1): ATP-binding cassette sub-family A member 1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00131 Adenosine monophosphate Thumb 28.4%
2 Approved;
Investigational		 SmallMoleculeDrug DB09220 Nicorandil Thumb 26.1%
3 Approved;
Investigational		 SmallMoleculeDrug DB00845 Clofazimine Thumb 24.0%
4 Approved;
Investigational		 SmallMoleculeDrug DB00583 L-Carnitine Thumb 18.1%
5 Approved;
Vet approved		 SmallMoleculeDrug DB01154 Thiamylal Thumb 16.0%
6 Experimental SmallMoleculeDrug DB07821 (1R)-1,2,2-trimethylpropyl (R)-methylphosphinate Thumb 15.6%
7 Approved;
Investigational		 SmallMoleculeDrug DB12965 Silver Thumb 15.3%
8 Approved SmallMoleculeDrug DB04941 Crofelemer Thumb 15.3%
9 Approved;
Investigational		 SmallMoleculeDrug DB01382 Glycodiazine Thumb 15.0%
10 Approved;
Investigational		 SmallMoleculeDrug DB09213 Dexibuprofen Thumb 14.4%
11 Approved;
Investigational		 SmallMoleculeDrug DB01251 Gliquidone Thumb 14.4%
12 Approved;
Investigational;
Withdrawn		 SmallMoleculeDrug DB00914 Phenformin Thumb 14.4%
13 Approved;
Investigational		 SmallMoleculeDrug DB11712 Tezacaftor Thumb 13.9%
14 Experimental SmallMoleculeDrug DB02161 Hydroxy-Phenyl-Acetic Acid 8-Methyl-8-Aza-Bicyclo[3.2.1]Oct-3-Yl Ester Thumb 13.8%
15 Investigational SmallMoleculeDrug DB05971 Archexin Thumb 13.8%
16 Approved;
Vet approved		 SmallMoleculeDrug DB01183 Naloxone Thumb 13.6%
17 Approved SmallMoleculeDrug DB06237 Avanafil Thumb 13.4%
18 Experimental SmallMoleculeDrug DB03401 1D-myo-inositol 1,4,5-trisphosphate Thumb 13.3%
19 Approved;
Nutraceutical		 SmallMoleculeDrug DB00161 L-Valine Thumb 13.0%
20 Experimental SmallMoleculeDrug DB07584 N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Thumb 12.6%


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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.