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: DB05793
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Investigational BiotechDrug DB05793 PRO-542 Thumb


1 known interactions (targets) of input drug (DB05793): PRO-542
No. Gene UniProt ID Protein Name Pathway PDB
1 FFAR4 Q5NUL3 Free fatty acid receptor 4 NA NA


20 predicted interactions (targets) of input drug (DB05793): PRO-542
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 BACE1 P56817 Beta-secretase 1 hsa05010
1FKN; 1M4H; 1PY1; 1SGZ; 1TQF; 1UJJ; 1UJK; 1W50; 1W51; 1XN2; 1XN3; 1XS7; 1YM2; 1YM4; 2B8L; 2B8V; 2F3E; 2F3F; 2FDP; 2G94; 2HIZ; 2HM1; 2IQG; 2IRZ; 2IS0; 2NTR; 2OAH; 2OF0; 2OHK; 2OHL; 2OHM; 2OHN; 2OHP; 2OHQ; 2OHR; 2OHS; 2OHT; 2OHU; 2P4J; 2P83; 2P8H; 2PH6; 2PH8; 2Q11; 2Q15; 2QK5; 2QMD; 2QMF; 2QMG; 2QP8; 2QU2; 2QU3; 2QZK; 2QZL; 2VA5; 2VA6; 2VA7; 2VIE; 2VIJ; 2VIY; 2VIZ; 2VJ6; 2VJ7; 2VJ9; 2VKM; 2VNM; 2VNN; 2WEZ; 2WF0; 2WF1; 2WF2; 2WF3; 2WF4; 2WJO; 2XFI; 2XFJ; 2XFK; 2ZDZ; 2ZE1; 2ZHR; 2ZHS; 2ZHT; 2ZHU; 2ZHV; 2ZJH; 2ZJI; 2ZJJ; 2ZJK; 2ZJL; 2ZJM; 2ZJN; 3BRA; 3BUF; 3BUG; 3BUH; 3CIB; 3CIC; 3CID; 3CKP; 3CKR; 3DM6; 3DUY; 3DV1; 3DV5; 3EXO; 3FKT; 3H0B; 3HVG; 3HW1; 3I25; 3IGB; 3IN3; 3IN4; 3IND; 3INE; 3INF; 3INH; 3IVH; 3IVI; 3IXJ; 3IXK; 3K5C; 3K5D; 3K5F; 3K5G; 3KMX; 3KMY; 3KN0; 3KYR; 3L38; 3L3A; 3L58; 3L59; 3L5B; 3L5C; 3L5D; 3L5E; 3L5F; 3LHG; 3LNK; 3LPI; 3LPJ; 3LPK; 3MSJ; 3MSK; 3MSL; 3N4L; 3NSH; 3OHF; 3OHH; 3OOZ; 3PI5; 3QBH; 3QI1; 3R1G; 3R2F; 3RSV; 3RSX; 3RTH; 3RTM; 3RTN; 3RU1; 3RVI; 3S2O; 3S7L; 3S7M; 3SKF; 3SKG; 3TPJ; 3TPL; 3TPP; 3TPR; 3U6A; 3UDH; 3UDJ; 3UDK; 3UDM; 3UDN; 3UDP; 3UDQ; 3UDR; 3UDY; 3UFL; 3UQP; 3UQR; 3UQU; 3UQW; 3UQX; 3VEU; 3VF3; 3VG1; 3VV6; 3VV7; 3VV8; 3WB4; 3WB5; 3ZMG; 3ZOV; 4ACU; 4ACX; 4AZY; 4B00; 4B05; 4B0Q; 4B1C; 4B1D; 4B1E; 4B70; 4B72; 4B77; 4B78; 4BEK; 4BFD; 4D83; 4D85; 4D88; 4D89; 4D8C; 4DH6; 4DI2; 4DJU; 4DJV; 4DJW; 4DJX; 4DJY; 4DPF; 4DPI; 4DUS; 4DV9; 4DVF; 4EWO; 4EXG; 4FCO; 4FGX; 4FM7; 4FM8; 4FRI; 4FRJ; 4FRK; 4FRS; 4FS4; 4FSE; 4FSL; 4GID; 4GMI; 4H1E; 4H3F; 4H3G; 4H3I; 4H3J; 4HA5; 4HZT; 4I0D; 4I0E; 4I0F; 4I0G; 4I0H; 4I0I; 4I0J; 4I0Z; 4I10; 4I11; 4I12; 4I1C; 4IVS; 4IVT; 4J0P; 4J0T; 4J0V; 4J0Y; 4J0Z; 4J17; 4J1C; 4J1E; 4J1F; 4J1H; 4J1I; 4J1K; 4JOO; 4JP9; 4JPC; 4JPE; 4K8S; 4K9H; 4KE0; 4KE1; 4L7G; 4L7H; 4L7J; 4LC7; 4LXA; 4LXK; 4LXM; 4N00; 4PZW; 4PZX; 4R5N; 4R8Y; 4R91; 4R92; 4R93; 4R95; 4RCD; 4RCE; 4RCF; 4RRN; 4RRO; 4RRS; 4TRW; 4TRY; 4TRZ; 4WTU; 4WY1; 4WY6; 4X2L; 4X7I; 4XKX; 4XXS; 4YBI; 4ZPE; 4ZPF; 4ZPG; 4ZSM; 4ZSP; 4ZSQ; 4ZSR; 5CLM
 20.7%
2 CACNB1 Q02641 Voltage-dependent L-type calcium channel subunit beta-1 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 17.4%
3 HPGDS O60760 Hematopoietic prostaglandin D synthase hsa00480; hsa00590; hsa00980; hsa00982; hsa01100; hsa05204 16.9%
4 RARG P13631 Retinoic acid receptor gamma NA 1EXA; 1EXX; 1FCX; 1FCY; 1FCZ; 1FD0; 2LBD; 3LBD; 4LBD 16.8%
5 ATP1A1 P05023 Sodium/potassium-transporting ATPase subunit alpha-1 hsa04022; hsa04024; hsa04260; hsa04261; hsa04911; hsa04918; hsa04919; hsa04925; hsa04960; hsa04961; hsa04964; hsa04970; hsa04971; hsa04972; hsa04973; hsa04974; hsa04976; hsa04978 NA 16.4%
6 PPARD Q03181 Peroxisome proliferator-activated receptor delta hsa03320; hsa04310; hsa05200; hsa05221 16.3%
7 FAAH O00519 Fatty-acid amide hydrolase 1 hsa04723 NA 15.6%
8 GLRA1 P23415 Glycine receptor subunit alpha-1 hsa04080 1MOT; 1VRY; 2M6B; 2M6I; 4X5T 15.0%
9 RRM2 P31350 Ribonucleoside-diphosphate reductase subunit M2 hsa00230; hsa00240; hsa00480; hsa00983; hsa01100; hsa04115 2UW2; 3OLJ; 3VPM; 3VPN; 3VPO 15.0%
10 CYP2A6 P11509 Cytochrome P450 2A6 hsa00232; hsa00830; hsa00980; hsa00982; hsa00983; hsa01100; hsa05204 1Z10; 1Z11; 2FDU; 2FDV; 2FDW; 2FDY; 3EBS; 3T3Q; 3T3R; 4EJJ; 4RUI 14.5%
11 TOP2A P11388 DNA topoisomerase 2-alpha hsa01524 1LWZ; 1ZXM; 1ZXN; 4FM9; 4R1F 14.3%
12 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 14.2%
13 GRIA1 P42261 Glutamate receptor 1 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05031; hsa05033 NA 12.9%
14 DHRS4L1 P0CG22 Putative dehydrogenase/reductase SDR family member 4-like 1 NA NA 12.7%
15 RORA P35398 Nuclear receptor ROR-alpha hsa04659; hsa04710; hsa05321 1N83; 1S0X; 4S15 12.7%
16 SREBF1 P36956 Sterol regulatory element-binding protein 1 hsa04152; hsa04910; hsa04931; hsa04932 1AM9 12.3%
17 KCNMA1 Q12791 Calcium-activated potassium channel subunit alpha-1 hsa04022; hsa04270; hsa04911; hsa04924; hsa04970; hsa04972 2K44; 3MT5; 3NAF 12.3%
18 PGR P06401 Progesterone receptor hsa04114; hsa04914; hsa04915; hsa05224 1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR 11.9%
19 CACNB3 P54284 Voltage-dependent L-type calcium channel subunit beta-3 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 11.9%
20 ORM1 P02763 Alpha-1-acid glycoprotein 1 NA 3KQ0 11.8%


  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.