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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: P54750
No. Gene UniProt ID Protein Name Pathway PDB
1 PDE1A P54750 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXQ


5 known interactions (drugs) of input target (PDE1A): Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved SmallMoleculeDrug DB00201 Caffeine Thumb
2 Approved;
Investigational
SmallMoleculeDrug DB01023 Felodipine Thumb
3 Approved;
Withdrawn
SmallMoleculeDrug DB01244 Bepridil Thumb
4 Approved SmallMoleculeDrug DB09283 Trapidil Thumb
5 Approved;
Investigational
SmallMoleculeDrug DB00622 Nicardipine Thumb


20 predicted interactions (drugs) of input target (PDE1A): Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
Investigational
SmallMoleculeDrug DB12010 Fostamatinib Thumb 40.6%
2 Approved;
Investigational
SmallMoleculeDrug DB00568 Cinnarizine Thumb 35.0%
3 Approved SmallMoleculeDrug DB00651 Dyphylline Thumb 34.3%
4 Approved SmallMoleculeDrug DB00381 Amlodipine Thumb 33.6%
5 Approved;
Investigational
SmallMoleculeDrug DB00270 Isradipine Thumb 33.1%
6 Approved SmallMoleculeDrug DB00661 Verapamil Thumb 33.1%
7 Experimental SmallMoleculeDrug DB07954 3-isobutyl-1-methyl-7H-xanthine Thumb 33.0%
8 Approved;
Investigational
SmallMoleculeDrug DB09061 Cannabidiol Thumb 31.0%
9 Experimental SmallMoleculeDrug DB04530 S,S-(2-Hydroxyethyl)Thiocysteine Thumb 30.7%
10 Approved SmallMoleculeDrug DB01115 Nifedipine Thumb 30.2%
11 Approved;
Investigational
SmallMoleculeDrug DB01118 Amiodarone Thumb 29.5%
12 Approved SmallMoleculeDrug DB00421 Spironolactone Thumb 28.8%
13 Approved SmallMoleculeDrug DB00321 Amitriptyline Thumb 28.3%
14 Approved;
Investigational
SmallMoleculeDrug DB09229 Aranidipine Thumb 28.3%
15 Approved SmallMoleculeDrug DB08811 Tofisopam Thumb 28.0%
16 Approved SmallMoleculeDrug DB00401 Nisoldipine Thumb 27.4%
17 Approved SmallMoleculeDrug DB00277 Theophylline Thumb 27.2%
18 Approved;
Experimental
SmallMoleculeDrug DB13746 Bioallethrin Thumb 27.1%
19 Approved SmallMoleculeDrug DB09089 Trimebutine Thumb 27.0%
20 Approved;
Investigational
SmallMoleculeDrug DB11633 Isavuconazole Thumb 26.6%



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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.