QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB00806
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00806 Pentoxifylline Thumb


6 known interactions (targets) of input drug (DB00806): Pentoxifylline
No. Gene UniProt ID Protein Name Pathway PDB
1 ADORA1 P30542 Adenosine receptor A1 hsa04022; hsa04024; hsa04071; hsa04080; hsa04923; hsa04924; hsa05032 NA
2 PDE5A O76074 cGMP-specific 3',5'-cyclic phosphodiesterase hsa00230; hsa04022
3 PDE4B Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B hsa00230; hsa04024; hsa04928; hsa05032
4 ADORA2A P29274 Adenosine receptor A2a hsa04015; hsa04020; hsa04024; hsa04080; hsa04270; hsa05012; hsa05034 1MMH; 1UPE; 2YDO; 2YDV; 3EML; 3PWH; 3QAK; 3REY; 3RFM; 3UZA; 3UZC; 3VG9; 3VGA; 4EIY; 4UG2; 4UHR
5 PDE4A P27815 cAMP-specific 3',5'-cyclic phosphodiesterase 4A hsa00230; hsa04024; hsa04928; hsa05032 3TVX; 2QYK; 3I8V; 3TVX
6 NT5E P21589 5'-nucleotidase hsa00230; hsa00240; hsa00760; hsa01100 4H1S; 4H1Y; 4H2B; 4H2F; 4H2G; 4H2I


20 predicted interactions (targets) of input drug (DB00806): Pentoxifylline
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PDE4D Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D hsa00230; hsa04024; hsa04928; hsa05032 59.2%
2 PDE4C Q08493 cAMP-specific 3',5'-cyclic phosphodiesterase 4C hsa00230; hsa04024; hsa04928; hsa05032 1LXU; 2QYM 47.1%
3 PDE3A Q14432 cGMP-inhibited 3',5'-cyclic phosphodiesterase A hsa00230; hsa04022; hsa04024; hsa04924; hsa05032 1LRC 44.0%
4 ADORA2B P29275 Adenosine receptor A2b hsa04015; hsa04020; hsa04080; hsa04270; hsa05034 NA 43.2%
5 PDE7B Q9NP56 cAMP-specific 3',5'-cyclic phosphodiesterase 7B hsa00230; hsa05032 1LXW 38.5%
6 PDE7A Q13946 High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A hsa00230; hsa05032 1ZKL; 3G3N; 4PM0; 4Y2B 33.7%
7 PDE11A Q9HCR9 Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A hsa00230; hsa04934; hsa05032 NA 28.6%
8 PDE2A O00408 cGMP-dependent 3',5'-cyclic phosphodiesterase hsa00230; hsa04022; hsa04740; hsa04925; hsa05032 1Z1L; 3IBJ; 3ITM; 3ITU; 4C1I; 4D08; 4D09; 4HTX; 4HTZ; 4JIB 28.4%
9 PDE10A Q9Y233 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A hsa00230; hsa05032 26.3%
10 PDE6B P35913 Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit beta hsa00230; hsa04744 NA 25.0%
11 PDE6C P51160 Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' hsa00230 3JWQ; 3JWR; 5E8F 24.0%
12 ITPR2 Q14571 Inositol 1,4,5-trisphosphate receptor type 2 hsa04020; hsa04022; hsa04070; hsa04114; hsa04210; hsa04218; hsa04270; hsa04371; hsa04540; hsa04611; hsa04621; hsa04625; hsa04720; hsa04723; hsa04724; hsa04725; hsa04726; hsa04728; hsa04730; hsa04750; hsa04912; hsa04915; hsa04918; hsa04921; hsa04922; hsa04924; hsa04925; hsa04927; hsa04928; hsa04934; hsa04970; hsa04971; hsa04972; hsa05010; hsa05163; hsa05167; hsa05170; hsa05205 NA 23.1%
13 PDE9A O76083 High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A hsa00230 22.5%
14 PIK3CG P48736 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform hsa00562; hsa04022; hsa04062; hsa04072; hsa04151; hsa04261; hsa04371; hsa04611; hsa04725; hsa04921; hsa05145; hsa05167 22.4%
15 NOMO1 Q15155 Nodal modulator 1 NA NA 21.7%
16 ATM Q13315 Serine-protein kinase ATM hsa01524; hsa03440; hsa04064; hsa04068; hsa04110; hsa04115; hsa04210; hsa04218; hsa05165; hsa05166; hsa05170; hsa05202; hsa05206 NA 20.9%
17 PRKDC P78527 DNA-dependent protein kinase catalytic subunit hsa03450; hsa04110 NA 20.6%
18 ADORA3 P0DMS8 Adenosine receptor A3 hsa04022; hsa04071; hsa04080 1OEA; 1R7N 20.3%
19 PDE8A O60658 High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A hsa00230; hsa04927; hsa04934; hsa05032 1LHQ; 1LXX; 3ECM; 3ECN 19.8%
20 PDE6G P18545 Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma hsa00230; hsa04744 3JWR 19.5%


  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.