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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: P15121
No. Gene UniProt ID Protein Name Pathway PDB
1 AKR1B1 P15121 Aldose reductase hsa00040; hsa00051; hsa00052; hsa00561; hsa00790; hsa01100
1ABN; 1ADS; 1AZ1; 1AZ2; 1EF3; 1EL3; 1IEI; 1MAR; 1PWL; 1PWM; 1T40; 1T41; 1US0; 1X96; 1X97; 1X98; 1XGD; 1Z3N; 1Z89; 1Z8A; 2ACQ; 2ACR; 2ACS; 2ACU; 2AGT; 2DUX; 2DUZ; 2DV0; 2F2K; 2FZ8; 2FZ9; 2FZB; 2FZD; 2HV5; 2HVN; 2HVO; 2I16; 2I17; 2IKG; 2IKH; 2IKI; 2IKJ; 2INE; 2INZ; 2IPW; 2IQ0; 2IQD; 2IS7; 2ISF; 2J8T; 2NVC; 2NVD; 2PD5; 2PD9; 2PDB; 2PDC; 2PDF; 2PDG; 2PDH; 2PDI; 2PDJ; 2PDK; 2PDL; 2PDM; 2PDN; 2PDP; 2PDQ; 2PDU; 2PDW; 2PDX; 2PDY; 2PEV; 2PF8; 2PFH; 2PZN; 2QXW; 2R24; 3BCJ; 3DN5; 3G5E; 3GHR; 3GHS; 3GHT; 3GHU; 3LBO; 3LD5; 3LEN; 3LEP; 3LQG; 3LQL; 3LZ3; 3LZ5; 3M0I; 3M4H; 3M64; 3MB9; 3MC5; 3ONB; 3ONC; 3P2V; 3Q65; 3Q67; 3RX2; 3RX3; 3RX4; 3S3G; 3T42; 3U2C; 3V35; 3V36; 4GCA; 4GQ0; 4IGS; 4JIR; 4LAU; 4LAZ; 4LB3; 4LB4; 4LBR; 4LBS; 4NKC; 4PR4; 4PRR; 4PRT; 4PUU; 4PUW; 4Q7B; 4QBX; 4QR6; 4QX4; 4QXI; 4RPQ; 4XZH; 4XZI

34 known interactions (drugs) of input target (AKR1B1): Aldose reductase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Experimental SmallMoleculeDrug DB08449 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid Thumb
2 Approved;
SmallMoleculeDrug DB00605 Sulindac Thumb
3 Investigational SmallMoleculeDrug DB05533 QR-333 Thumb
4 Experimental SmallMoleculeDrug DB07063 {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID Thumb
5 Investigational SmallMoleculeDrug DB05327 Ranirestat Thumb
6 Experimental SmallMoleculeDrug DB07187 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE Thumb
7 Approved;
SmallMoleculeDrug DB00157 NADH Thumb
8 Experimental SmallMoleculeDrug DB03461 2'-Monophosphoadenosine 5'-Diphosphoribose Thumb
9 Experimental;
SmallMoleculeDrug DB02712 Sorbinil Thumb
10 Experimental SmallMoleculeDrug DB02020 Alrestatin Thumb
11 Experimental SmallMoleculeDrug DB02101 (S,R)-fidarestat Thumb
12 Experimental SmallMoleculeDrug DB01689 Inhibitor Idd 384 Thumb
14 Experimental SmallMoleculeDrug DB02007 alpha-D-glucose 6-phosphate Thumb
15 Experimental SmallMoleculeDrug DB07450 (R)-minalrestat Thumb
16 Experimental SmallMoleculeDrug DB07498 4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID Thumb
17 Investigational SmallMoleculeDrug DB06246 Exisulind Thumb
18 Experimental SmallMoleculeDrug DB02132 Zenarestat Thumb
19 Experimental SmallMoleculeDrug DB07028 (2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID Thumb
20 Approved;
SmallMoleculeDrug DB00143 Glutathione Thumb
21 Experimental SmallMoleculeDrug DB02994 Cacodylic acid Thumb
22 Experimental SmallMoleculeDrug DB08084 IDD594 Thumb
24 Experimental SmallMoleculeDrug DB02834 IDD552 Thumb
25 Experimental SmallMoleculeDrug DB02518 N-Acetylalanine Thumb
26 Approved;
Vet approved
SmallMoleculeDrug DB04272 Citric Acid Thumb
27 Experimental SmallMoleculeDrug DB07030 (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID Thumb
28 Withdrawn SmallMoleculeDrug DB02383 Tolrestat Thumb
29 Experimental SmallMoleculeDrug DB07093 {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID Thumb
30 Experimental SmallMoleculeDrug DB02021 Fidarestat Thumb
31 Experimental SmallMoleculeDrug DB08098 {[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid Thumb
32 Experimental SmallMoleculeDrug DB07999 {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID Thumb
33 Experimental SmallMoleculeDrug DB07139 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid Thumb
34 Investigational SmallMoleculeDrug DB05383 Pimagedine Thumb

20 predicted interactions (drugs) of input target (AKR1B1): Aldose reductase
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Experimental SmallMoleculeDrug DB02494 Alpha-Hydroxy-Beta-Phenyl-Propionic Acid Thumb 39.9%
2 Experimental SmallMoleculeDrug DB08437 Puromycin Thumb 39.0%
3 Experimental SmallMoleculeDrug DB08613 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL Thumb 32.0%
4 Experimental SmallMoleculeDrug DB04447 1,4-Dithiothreitol Thumb 31.8%
5 Approved;
SmallMoleculeDrug DB09092 Xanthinol Thumb 31.0%
6 Experimental SmallMoleculeDrug DB07374 Anisomycin Thumb 31.0%
7 Approved;
SmallMoleculeDrug DB00313 Valproic Acid Thumb 28.7%
8 Experimental SmallMoleculeDrug DB08080 LATRUNCULIN B Thumb 27.5%
9 Approved SmallMoleculeDrug DB01211 Clarithromycin Thumb 27.4%
10 Approved;
SmallMoleculeDrug DB00907 Cocaine Thumb 27.1%
11 Approved;
SmallMoleculeDrug DB06713 Norelgestromin Thumb 27.1%
12 Approved SmallMoleculeDrug DB00308 Ibutilide Thumb 26.3%
13 Approved SmallMoleculeDrug DB00648 Mitotane Thumb 26.2%
14 Approved;
SmallMoleculeDrug DB11994 Diacerein Thumb 25.0%
15 Approved;
SmallMoleculeDrug DB04839 Cyproterone acetate Thumb 23.6%
16 Experimental SmallMoleculeDrug DB01876 Bis(5-Amidino-2-Benzimidazolyl)Methanone Thumb 23.1%
17 Investigational SmallMoleculeDrug DB05854 CLX-0921 Thumb 23.1%
18 Approved;
SmallMoleculeDrug DB00951 Isoniazid Thumb 22.8%
19 Approved;
SmallMoleculeDrug DB00464 Sodium Tetradecyl Sulfate Thumb 22.8%
20 Experimental SmallMoleculeDrug DB03314 Fluorotryptophane Thumb 22.5%


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.


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.