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: Q9UNQ0
No. Gene UniProt ID Protein Name Pathway PDB
1 ABCG2 Q9UNQ0 ATP-binding cassette sub-family G member 2 hsa01523; hsa02010; hsa04976 NA


3 known interactions (drugs) of input target (ABCG2): ATP-binding cassette sub-family G member 2
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB11995 Avatrombopag Thumb
2 Approved;
Investigational		 SmallMoleculeDrug DB00482 Celecoxib Thumb
3 Investigational SmallMoleculeDrug DB04851 Biricodar dicitrate Thumb


20 predicted interactions (drugs) of input target (ABCG2): ATP-binding cassette sub-family G member 2
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Investigational;
Nutraceutical		 SmallMoleculeDrug DB00171 ATP Thumb 26.1%
2 Approved;
Investigational		 SmallMoleculeDrug DB01032 Probenecid Thumb 25.4%
3 Approved;
Nutraceutical		 SmallMoleculeDrug DB01373 Calcium Thumb 22.0%
4 Experimental;
Investigational		 SmallMoleculeDrug DB14067 Dofequidar Thumb 21.6%
5 Approved;
Investigational		 SmallMoleculeDrug DB12010 Fostamatinib Thumb 21.3%
6 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00143 Glutathione Thumb 19.5%
7 Approved SmallMoleculeDrug DB01212 Ceftriaxone Thumb 19.1%
8 Approved SmallMoleculeDrug DB00493 Cefotaxime Thumb 17.8%
9 Experimental SmallMoleculeDrug DB02010 Staurosporine Thumb 17.2%
10 Approved SmallMoleculeDrug DB00381 Amlodipine Thumb 16.4%
11 Nutraceutical SmallMoleculeDrug DB00116 Tetrahydrofolic acid Thumb 16.3%
12 Investigational SmallMoleculeDrug DB08846 Ellagic Acid Thumb 16.1%
13 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00135 L-Tyrosine Thumb 16.1%
14 Approved;
Investigational		 SmallMoleculeDrug DB11638 Artenimol Thumb 16.0%
15 Experimental SmallMoleculeDrug DB08342 S-PALMITOYL-L-CYSTEINE Thumb 15.9%
16 Approved;
Nutraceutical		 SmallMoleculeDrug DB00157 NADH Thumb 15.5%
17 Approved;
Nutraceutical		 SmallMoleculeDrug DB00149 L-Leucine Thumb 15.2%
18 Approved;
Vet approved		 SmallMoleculeDrug DB01053 Benzylpenicillin Thumb 14.7%
19 Investigational SmallMoleculeDrug DB12695 Phenethyl Isothiocyanate Thumb 14.6%
20 Approved SmallMoleculeDrug DB03147 Flavin adenine dinucleotide Thumb 14.3%


  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.