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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: Q14432
No. Gene UniProt ID Protein Name Pathway PDB
1 PDE3A Q14432 cGMP-inhibited 3',5'-cyclic phosphodiesterase A hsa00230; hsa04022; hsa04024; hsa04924; hsa05032 1LRC


13 known interactions (drugs) of input target (PDE3A): cGMP-inhibited 3',5'-cyclic phosphodiesterase A
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB00277 Theophylline Thumb
2 Approved SmallMoleculeDrug DB00235 Milrinone Thumb
3 Approved;
Investigational		 SmallMoleculeDrug DB04880 Enoximone Thumb
4 Approved SmallMoleculeDrug DB08811 Tofisopam Thumb
5 Approved SmallMoleculeDrug DB01223 Aminophylline Thumb
6 Approved SmallMoleculeDrug DB01427 Amrinone Thumb
7 Approved;
Investigational		 SmallMoleculeDrug DB01166 Cilostazol Thumb
8 Approved SmallMoleculeDrug DB00261 Anagrelide Thumb
9 Approved SmallMoleculeDrug DB00201 Caffeine Thumb
10 Approved SmallMoleculeDrug DB01303 Oxtriphylline Thumb
11 Approved;
Investigational		 SmallMoleculeDrug DB00922 Levosimendan Thumb
12 Approved;
Investigational		 SmallMoleculeDrug DB05266 Ibudilast Thumb
13 Approved SmallMoleculeDrug DB09283 Trapidil Thumb


20 predicted interactions (drugs) of input target (PDE3A): cGMP-inhibited 3',5'-cyclic phosphodiesterase A
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB00824 Enprofylline Thumb 53.4%
2 Approved SmallMoleculeDrug DB00651 Dyphylline Thumb 49.7%
3 Approved;
Investigational		 SmallMoleculeDrug DB00640 Adenosine Thumb 45.2%
4 Approved;
Investigational		 SmallMoleculeDrug DB00806 Pentoxifylline Thumb 44.0%
5 Approved;
Investigational		 SmallMoleculeDrug DB01088 Iloprost Thumb 42.5%
6 Approved;
Investigational		 SmallMoleculeDrug DB05219 Crisaborole Thumb 38.4%
7 Experimental SmallMoleculeDrug DB01791 Piclamilast Thumb 35.4%
8 Approved;
Investigational		 SmallMoleculeDrug DB01412 Theobromine Thumb 33.8%
9 Experimental SmallMoleculeDrug DB08299 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid Thumb 33.2%
10 Approved;
Investigational		 BiotechDrug DB04932 Defibrotide Thumb 32.3%
11 Approved;
Investigational		 SmallMoleculeDrug DB05676 Apremilast Thumb 32.0%
12 Approved;
Investigational		 SmallMoleculeDrug DB00996 Gabapentin Thumb 31.3%
13 Approved SmallMoleculeDrug DB00975 Dipyridamole Thumb 29.5%
14 Approved;
Investigational		 SmallMoleculeDrug DB01113 Papaverine Thumb 29.2%
15 Approved SmallMoleculeDrug DB01656 Roflumilast Thumb 28.7%
16 Investigational SmallMoleculeDrug DB12569 Tonapofylline Thumb 27.5%
17 Investigational SmallMoleculeDrug DB06479 Propentofylline Thumb 27.3%
18 Experimental SmallMoleculeDrug DB02506 2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid Thumb 26.6%
19 Experimental SmallMoleculeDrug DB03606 (S)-Rolipram Thumb 26.3%
20 Experimental SmallMoleculeDrug DB06842 (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one Thumb 25.7%


  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.