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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: DB04447
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Experimental SmallMoleculeDrug DB04447 1,4-Dithiothreitol Thumb

10 known interactions (targets) of input drug (DB04447): 1,4-Dithiothreitol
No. Gene UniProt ID Protein Name Pathway PDB
1 TPI1 P60174 Triosephosphate isomerase hsa00010; hsa00051; hsa00562; hsa01100; hsa01200; hsa01230 1HTI; 1KLG; 1KLU; 1WYI; 2IAM; 2IAN; 2JK2; 2VOM; 4BR1; 4E41; 4POC; 4POD; 4UNK; 4UNL
2 HMGCR P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase hsa00900; hsa01100; hsa04152; hsa04976
3 ALDH1A1 P00352 Retinal dehydrogenase 1 hsa00830; hsa01100 4WB9; 4WJ9; 4WP7; 4WPN; 4X4L; 5AC2
4 PPIB P23284 Peptidyl-prolyl cis-trans isomerase B NA 1CYN; 3ICH; 3ICI
5 TRPM7 Q96QT4 Transient receptor potential cation channel subfamily M member 7 hsa04217; hsa04218; hsa04621; hsa04978 NA
6 LGALS1 P09382 Galectin-1 NA 1GZW; 1W6M; 1W6N; 1W6O; 1W6P; 1W6Q; 2KM2; 2ZKN; 3OY8; 3OYW; 3T2T; 3W58; 3W59; 4Q1P; 4Q1R; 4Q26; 4Q27; 4Q2F; 4XBL
7 MSRA Q9UJ68 Mitochondrial peptide methionine sulfoxide reductase NA NA
8 AXIN1 O15169 Axin-1 hsa04310; hsa04390; hsa04550; hsa04934; hsa05165; hsa05200; hsa05210; hsa05213; hsa05217; hsa05224; hsa05225; hsa05226 1DK8; 1EMU; 1O9U; 3ZDI; 4B7T; 4NM0; 4NM3; 4NM5; 4NM7; 4NU1
9 GSTZ1 O43708 Maleylacetoacetate isomerase hsa00350; hsa01100 1FW1
10 CAMK2A Q9UQM7 Calcium/calmodulin-dependent protein kinase type II subunit alpha hsa04012; hsa04020; hsa04024; hsa04066; hsa04114; hsa04217; hsa04261; hsa04310; hsa04360; hsa04713; hsa04720; hsa04722; hsa04725; hsa04728; hsa04740; hsa04750; hsa04911; hsa04912; hsa04916; hsa04921; hsa04922; hsa04925; hsa04934; hsa04971; hsa05031; hsa05152; hsa05200; hsa05205; hsa05214 2VZ6; 3SOA

20 predicted interactions (targets) of input drug (DB04447): 1,4-Dithiothreitol
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE 48.1%
2 HSD11B1 P28845 Corticosteroid 11-beta-dehydrogenase isozyme 1 hsa00140; hsa00980; hsa01100; hsa05204 39.0%
3 HPGDS O60760 Hematopoietic prostaglandin D synthase hsa00480; hsa00590; hsa00980; hsa00982; hsa01100; hsa05204 35.7%
4 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 32.2%
5 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
6 RNASE1 P07998 Ribonuclease pancreatic NA 1DZA; 1E21; 1H8X; 1Z7X; 2E0J; 2E0L; 2E0M; 2E0O; 2K11; 2Q4G; 3F8G; 4KXH 29.8%
7 ADA P00813 Adenosine deaminase hsa00230; hsa01100; hsa05340 1M7M; 3IAR 26.0%
8 CASP3 P42574 Caspase-3 hsa01524; hsa04010; hsa04115; hsa04210; hsa04215; hsa04650; hsa04657; hsa04668; hsa04726; hsa04932; hsa04933; hsa05010; hsa05012; hsa05014; hsa05016; hsa05120; hsa05133; hsa05134; hsa05145; hsa05146; hsa05152; hsa05161; hsa05163; hsa05165; hsa05167; hsa05168; hsa05170; hsa05200; hsa05203; hsa05205; hsa05206; hsa05210; hsa05222; hsa05416 23.7%
9 GAPDH P04406 Glyceraldehyde-3-phosphate dehydrogenase hsa00010; hsa01100; hsa01200; hsa01230; hsa04066; hsa05010 1U8F; 1ZNQ; 2FEH; 3GPD; 4WNC; 4WNI 23.4%
10 GSR P00390 Glutathione reductase, mitochondrial hsa00480; hsa04918 23.0%
11 WEE1 P30291 Wee1-like protein kinase hsa04110; hsa05170 1X8B; 2IN6; 2IO6; 2Z2W; 3BI6; 3BIZ; 3CQE; 3CR0 22.3%
12 PARP1 P09874 Poly [ADP-ribose] polymerase 1 hsa03410; hsa04064; hsa04210; hsa04217 21.8%
13 CSNK1G2 P78368 Casein kinase I isoform gamma-2 hsa04340 2C47 21.7%
14 RNASE3 P12724 Eosinophil cationic protein hsa05310 1DYT; 1H1H; 1QMT; 2KB5; 2LVZ; 4A2O; 4A2Y; 4OWZ; 4OXB; 4OXF; 4X08 21.4%
15 CDK16 Q00536 Cyclin-dependent kinase 16 NA 3MTL 20.8%
16 AGTR1 P30556 Type-1 angiotensin II receptor hsa04020; hsa04022; hsa04072; hsa04080; hsa04261; hsa04270; hsa04371; hsa04614; hsa04924; hsa04925; hsa04927; hsa04933; hsa04934; hsa05200 1ZV0; 4YAY; 4ZUD 20.7%
17 ITGB2 P05107 Integrin beta-2 hsa04015; hsa04145; hsa04390; hsa04514; hsa04610; hsa04650; hsa04670; hsa04810; hsa05133; hsa05134; hsa05140; hsa05144; hsa05146; hsa05150; hsa05152; hsa05166; hsa05323; hsa05416 1JX3; 1L3Y; 1YUK; 2JF1; 2P26; 2P28; 2V7D; 3K6S; 3K71; 3K72; 4NEH; 4NEN 20.4%
18 HSD17B8 Q92506 Estradiol 17-beta-dehydrogenase 8 hsa00140; hsa01100 2PD6; 4CQL; 4CQM 20.4%
19 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 20.3%
20 LCK P06239 Tyrosine-protein kinase Lck hsa04064; hsa04380; hsa04650; hsa04658; hsa04659; hsa04660; hsa05166; hsa05340 20.1%


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.