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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: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB05219
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB05219 Crisaborole Thumb


4 known interactions (targets) of input drug (DB05219): Crisaborole
No. Gene UniProt ID Protein Name Pathway PDB
1 PDE4C Q08493 cAMP-specific 3',5'-cyclic phosphodiesterase 4C hsa00230; hsa04024; hsa04928; hsa05032 1LXU; 2QYM
2 PDE4D Q08499 cAMP-specific 3',5'-cyclic phosphodiesterase 4D hsa00230; hsa04024; hsa04928; hsa05032
3 PDE4A P27815 cAMP-specific 3',5'-cyclic phosphodiesterase 4A hsa00230; hsa04024; hsa04928; hsa05032 2QYK; 3I8V; 3TVX
4 PDE4B Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B hsa00230; hsa04024; hsa04928; hsa05032


20 predicted interactions (targets) of input drug (DB05219): Crisaborole
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ADORA1 P30542 Adenosine receptor A1 hsa04022; hsa04024; hsa04071; hsa04080; hsa04923; hsa04924; hsa05032 NA 39.9%
2 PDE3A Q14432 cGMP-inhibited 3',5'-cyclic phosphodiesterase A hsa00230; hsa04022; hsa04024; hsa04924; hsa05032 1LRC 38.4%
3 PDE2A O00408 cGMP-dependent 3',5'-cyclic phosphodiesterase hsa00230; hsa04022; hsa04740; hsa04925; hsa05032 1Z1L; 3IBJ; 3ITM; 3ITU; 4C1I; 4D08; 4D09; 4HTX; 4HTZ; 4JIB 30.5%
4 PDE5A O76074 cGMP-specific 3',5'-cyclic phosphodiesterase hsa00230; hsa04022 30.4%
5 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 29.5%
6 PDE7B Q9NP56 cAMP-specific 3',5'-cyclic phosphodiesterase 7B hsa00230; hsa05032 1LXW 29.1%
7 PDE6C P51160 Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' hsa00230 3JWQ; 3JWR; 5E8F 23.8%
8 PDE7A Q13946 High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A hsa00230; hsa05032 1ZKL; 3G3N; 4PM0; 4Y2B 23.5%
9 PDE10A Q9Y233 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A hsa00230; hsa05032 23.1%
10 PDE8A O60658 High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A hsa00230; hsa04927; hsa04934; hsa05032 1LHQ; 1LXX; 3ECM; 3ECN 22.9%
11 F10 P00742 Coagulation factor X hsa04610
1C5M; 1EZQ; 1F0R; 1F0S; 1FAX; 1FJS; 1FXY; 1G2L; 1G2M; 1HCG; 1IOE; 1IQE; 1IQF; 1IQG; 1IQH; 1IQI; 1IQJ; 1IQK; 1IQL; 1IQM; 1IQN; 1KSN; 1LPG; 1LPK; 1LPZ; 1LQD; 1MQ5; 1MQ6; 1MSX; 1NFU; 1NFW; 1NFX; 1NFY; 1NL8; 1P0S; 1V3X; 1WU1; 1XKA; 1XKB; 1Z6E; 2BMG; 2BOH; 2BOK; 2BQ6; 2BQ7; 2BQW; 2CJI; 2D1J; 2EI6; 2EI7; 2EI8; 2FZZ; 2G00; 2GD4; 2H9E; 2J2U; 2J34; 2J38; 2J4I; 2J94; 2J95; 2JKH; 2P16; 2P3F; 2P3T; 2P3U; 2P93; 2P94; 2P95; 2PHB; 2PR3; 2Q1J; 2RA0; 2UWL; 2UWO; 2UWP; 2VH0; 2VH6; 2VVC; 2VVU; 2VVV; 2VWL; 2VWM; 2VWN; 2VWO; 2W26; 2W3I; 2W3K; 2WYG; 2WYJ; 2XBV; 2XBW; 2XBX; 2XBY; 2XC0; 2XC4; 2XC5; 2Y5F; 2Y5G; 2Y5H; 2Y7X; 2Y7Z; 2Y80; 2Y81; 2Y82; 3CEN; 3CS7; 3ENS; 3FFG; 3HPT; 3IIT; 3K9X; 3KL6; 3KQB; 3KQC; 3KQD; 3KQE; 3LIW; 3M36; 3M37; 3Q3K; 3SW2; 3TK5; 3TK6; 4A7I; 4BTI; 4BTT; 4BTU; 4Y6D; 4Y71; 4Y76; 4Y79; 4Y7A; 4Y7B
 21.8%
12 ADA P00813 Adenosine deaminase hsa00230; hsa01100; hsa05340 1M7M; 3IAR 21.5%
13 PDE1B Q01064 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXR; 1TAZ; 4NPV; 4NPW 21.4%
14 PDE11A Q9HCR9 Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A hsa00230; hsa04934; hsa05032 NA 21.2%
15 PDE6A P16499 Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha hsa00230; hsa04744 NA 20.0%
16 PDE1C Q14123 Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C hsa00230; hsa04020; hsa04740; hsa04742; hsa04924; hsa05032 1LXS 19.5%
17 PTGIR P43119 Prostacyclin receptor hsa04080; hsa04270; hsa04611 NA 19.1%
18 PDE6B P35913 Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit beta hsa00230; hsa04744 NA 18.9%
19 HINT1 P49773 Histidine triad nucleotide-binding protein 1 NA 1AV5; 1KPA; 1KPB; 1KPC; 1KPE; 1KPF; 3TW2; 4EQE; 4EQG; 4EQH 18.8%
20 NT5E P21589 5'-nucleotidase hsa00230; hsa00240; hsa00760; hsa01100 4H1S; 4H1Y; 4H2B; 4H2F; 4H2G; 4H2I 18.2%


  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.