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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: P27815
No. Gene UniProt ID Protein Name Pathway PDB
1 PDE4A P27815 cAMP-specific 3',5'-cyclic phosphodiesterase 4A hsa00230; hsa04024; hsa04928; hsa05032 2QYK; 3I8V; 3TVX


20 known interactions (drugs) of input target (PDE4A): cAMP-specific 3',5'-cyclic phosphodiesterase 4A
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB00975 Dipyridamole Thumb
2 Approved SmallMoleculeDrug DB09283 Trapidil Thumb
3 Experimental SmallMoleculeDrug DB01791 Piclamilast Thumb
4 Approved SmallMoleculeDrug DB00277 Theophylline Thumb
5 Investigational SmallMoleculeDrug DB05876 PDE4 Thumb
6 Approved;
Investigational		 SmallMoleculeDrug DB00824 Enprofylline Thumb
7 Approved;
Investigational		 SmallMoleculeDrug DB06751 Drotaverine Thumb
8 Approved;
Investigational		 SmallMoleculeDrug DB01088 Iloprost Thumb
9 Approved;
Investigational		 SmallMoleculeDrug DB05219 Crisaborole Thumb
10 Approved SmallMoleculeDrug DB00201 Caffeine Thumb
11 Approved SmallMoleculeDrug DB01656 Roflumilast Thumb
12 Experimental SmallMoleculeDrug DB06842 (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one Thumb
13 Approved;
Investigational		 SmallMoleculeDrug DB05676 Apremilast Thumb
14 Approved SmallMoleculeDrug DB00651 Dyphylline Thumb
15 Experimental SmallMoleculeDrug DB08299 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid Thumb
16 Approved;
Investigational		 SmallMoleculeDrug DB00806 Pentoxifylline Thumb
17 Approved;
Investigational		 SmallMoleculeDrug DB05266 Ibudilast Thumb
18 Investigational SmallMoleculeDrug DB06479 Propentofylline Thumb
19 Approved SmallMoleculeDrug DB08811 Tofisopam Thumb
20 Approved SmallMoleculeDrug DB01303 Oxtriphylline Thumb


20 predicted interactions (drugs) of input target (PDE4A): cAMP-specific 3',5'-cyclic phosphodiesterase 4A
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB01412 Theobromine Thumb 54.6%
2 Investigational SmallMoleculeDrug DB06246 Exisulind Thumb 53.5%
3 Approved;
Investigational		 SmallMoleculeDrug DB01113 Papaverine Thumb 52.8%
4 Investigational SmallMoleculeDrug DB03849 Cilomilast Thumb 52.5%
5 Experimental SmallMoleculeDrug DB04149 (R)-Rolipram Thumb 52.5%
6 Experimental SmallMoleculeDrug DB03606 (S)-Rolipram Thumb 49.7%
7 Approved SmallMoleculeDrug DB01427 Amrinone Thumb 48.5%
8 Experimental SmallMoleculeDrug DB07954 3-isobutyl-1-methyl-7H-xanthine Thumb 47.8%
9 Investigational SmallMoleculeDrug DB01954 Rolipram Thumb 45.0%
10 Experimental SmallMoleculeDrug DB01959 3,5-Dimethyl-1-(3-Nitrophenyl)-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester Thumb 44.8%
11 Experimental SmallMoleculeDrug DB03183 1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester Thumb 43.0%
12 Experimental SmallMoleculeDrug DB06909 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide Thumb 40.2%
13 Approved;
Investigational		 BiotechDrug DB04932 Defibrotide Thumb 39.8%
14 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00131 Adenosine monophosphate Thumb 38.6%
15 Experimental SmallMoleculeDrug DB01647 Daxalipram Thumb 37.9%
16 Experimental SmallMoleculeDrug DB02660 Filaminast Thumb 37.4%
17 Experimental SmallMoleculeDrug DB03807 1-(2-Chlorophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester Thumb 36.8%
18 Experimental SmallMoleculeDrug DB02918 6-(4-Difluoromethoxy-3-Methoxy-Phenyl)-2h-Pyridazin-3-One Thumb 35.5%
19 Experimental SmallMoleculeDrug DB01972 Guanosine-5'-Monophosphate Thumb 34.7%
20 Investigational SmallMoleculeDrug DB05298 Tetomilast Thumb 34.4%


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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.