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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: Q99584
No. Gene UniProt ID Protein Name Pathway PDB
1 S100A13 Q99584 Protein S100-A13 NA 1YUR; 1YUS; 1YUT; 1YUU; 2EGD; 2H2K; 2K8M; 2KI4; 2KI6; 2KOT; 2L5X; 2LE9


6 known interactions (drugs) of input target (S100A13): Protein S100-A13
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB01164 Calcium Chloride Thumb
2 Approved SmallMoleculeDrug DB11348 Calcium Phosphate Thumb
3 Approved;
Nutraceutical		 SmallMoleculeDrug DB01373 Calcium Thumb
4 Approved SmallMoleculeDrug DB11093 Calcium Citrate Thumb
5 Approved;
Investigational		 SmallMoleculeDrug DB01025 Amlexanox Thumb
6 Approved SmallMoleculeDrug DB00768 Olopatadine Thumb


20 predicted interactions (drugs) of input target (S100A13): Protein S100-A13
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Investigational SmallMoleculeDrug DB05343 Arundic acid Thumb 32.4%
2 Experimental SmallMoleculeDrug DB07004 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide Thumb 24.8%
3 Approved;
Nutraceutical		 SmallMoleculeDrug DB00127 Spermine Thumb 24.5%
4 Approved SmallMoleculeDrug DB09089 Trimebutine Thumb 23.4%
5 Experimental SmallMoleculeDrug DB06941 (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide Thumb 22.6%
6 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00755 Tretinoin Thumb 22.2%
7 Approved;
Investigational		 SmallMoleculeDrug DB00328 Indomethacin Thumb 21.9%
8 Approved;
Investigational		 SmallMoleculeDrug DB01593 Zinc Thumb 21.1%
9 Approved SmallMoleculeDrug DB00988 Dopamine Thumb 20.6%
10 Approved;
Investigational		 SmallMoleculeDrug DB00568 Cinnarizine Thumb 20.5%
11 Approved;
Investigational		 SmallMoleculeDrug DB01023 Felodipine Thumb 20.3%
12 Approved;
Nutraceutical;
Vet approved		 SmallMoleculeDrug DB00162 Vitamin A Thumb 20.1%
13 Approved;
Investigational		 SmallMoleculeDrug DB12865 Etelcalcetide Thumb 19.7%
14 Approved;
Nutraceutical		 SmallMoleculeDrug DB00151 L-Cysteine Thumb 18.8%
15 Approved SmallMoleculeDrug DB00825 Menthol Thumb 18.3%
16 Experimental SmallMoleculeDrug DB01752 S-adenosyl-L-homocysteine Thumb 17.9%
17 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00118 Ademetionine Thumb 17.8%
18 Approved;
Investigational		 SmallMoleculeDrug DB12278 Propiverine Thumb 17.5%
19 Experimental SmallMoleculeDrug DB02868 3''-(Beta-Chloroethyl)-2'',4''-Dioxo-3, 5''-Spiro-Oxazolidino-4-Deacetoxy-Vinblastine Thumb 17.5%
20 Approved;
Investigational		 SmallMoleculeDrug DB00554 Piroxicam Thumb 17.2%


  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.