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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: DB12695
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Investigational SmallMoleculeDrug DB12695 Phenethyl Isothiocyanate Thumb

45 known interactions (targets) of input drug (DB12695): Phenethyl Isothiocyanate
No. Gene UniProt ID Protein Name Pathway PDB
1 RANBP1 P43487 Ran-specific GTPase-activating protein hsa05166; hsa05203 1K5D; 1K5G
2 HSPE1 P61604 10 kDa heat shock protein, mitochondrial NA 4PJ1
3 HNRNPF P52597 Heterogeneous nuclear ribonucleoprotein F NA 2HGL; 2HGM; 2HGN; 2KFY; 2KG0; 2KG1; 3TFY
4 TUBA4A P68366 Tubulin alpha-4A chain hsa04145; hsa04210; hsa04530; hsa04540; hsa05130 NA
5 TPM3 P06753 Tropomyosin alpha-3 chain hsa04260; hsa04261; hsa05200; hsa05216; hsa05410; hsa05414 NA
6 VCP P55072 Transitional endoplasmic reticulum ATPase hsa04141; hsa05134 3EBB; 3HU1; 3HU2; 3HU3; 3QC8; 3QQ7; 3QQ8; 3QWZ; 3TIW; 4KDI; 4KDL; 4KLN; 4KO8; 4KOD; 4P0A
7 TUBA1A Q71U36 Tubulin alpha-1A chain hsa04145; hsa04210; hsa04530; hsa04540; hsa05130 5JCO
8 ACTB P60709 Actin, cytoplasmic 1 hsa04015; hsa04145; hsa04210; hsa04390; hsa04510; hsa04520; hsa04530; hsa04611; hsa04670; hsa04714; hsa04810; hsa04919; hsa04921; hsa04971; hsa05100; hsa05110; hsa05130; hsa05131; hsa05132; hsa05164; hsa05205; hsa05225; hsa05410; hsa05412; hsa05414; hsa05416; hsa05418 3BYH; 3D2U; 3J82; 3LUE
9 YWHAH Q04917 14-3-3 protein eta hsa04110; hsa04114; hsa04151; hsa04390; hsa05169; hsa05203 2C63; 2C74
10 ATP5I P56385 ATP synthase subunit e, mitochondrial hsa00190; hsa01100; hsa04714 NA
11 HSPB1 P04792 Heat shock protein beta-1 hsa04010; hsa04370; hsa05146; hsa05169 2N3J; 3Q9P; 3Q9Q; 4MJH
12 PAPPA Q13219 Pappalysin-1 NA NA
13 TUBA3C Q13748 Tubulin alpha-3C/D chain NA NA
14 YWHAB P31946 14-3-3 protein beta/alpha hsa04110; hsa04114; hsa04151; hsa04390; hsa05161; hsa05169; hsa05203 2BQ0; 2C23; 4DNK
15 FBXO41 Q8TF61 F-box only protein 41 NA NA
16 TPM1 P09493 Tropomyosin alpha-1 chain hsa04260; hsa04261; hsa05206; hsa05410; hsa05414 NA
17 SF3A3 Q12874 Splicing factor 3A subunit 3 hsa03040 2DT7
18 HSPA4 P34932 Heat shock 70 kDa protein 4 hsa04530; hsa04612 NA
19 USP14 P54578 Ubiquitin carboxyl-terminal hydrolase 14 NA 2AYN; 2AYO; 5GJQ
20 YWHAZ P63104 14-3-3 protein zeta/delta hsa04110; hsa04114; hsa04151; hsa04390; hsa05130; hsa05161; hsa05169; hsa05203 1IB1; 1QJA; 1QJB; 2C1J; 2C1N; 2O02; 2WH0; 3CU8; 3NKX; 3RDH; 4BG6; 4FJ3; 4HKC; 4IHL; 4N7G; 4N7Y; 4N84; 4WRQ; 4ZDR
21 UCHL1 P09936 Ubiquitin carboxyl-terminal hydrolase isozyme L1 hsa05012 2ETL; 2LEN; 3IFW; 3IRT; 3KVF; 3KW5; 4DM9; 4JKJ
22 ACTA2 P62736 Actin, aortic smooth muscle hsa04270; hsa04371; hsa04926 NA
23 NUDC Q9Y266 Nuclear migration protein nudC NA 3QOR
24 SMARCE1 Q969G3 SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily E member 1 hsa04714; hsa05225 NA
25 TUBB4B P68371 Tubulin beta-4B chain hsa04145; hsa04540; hsa05130 NA
26 TPD52L2 O43399 Tumor protein D54 NA NA
27 S100A10 P60903 Protein S100-A10 NA 1A4P; 1BT6; 4DRW; 4FTG; 4HRE; 4HRG; 4HRH
28 HNRNPK P61978 Heterogeneous nuclear ribonucleoprotein K hsa03040; hsa05168; hsa05203; hsa05206 1J5K; 1KHM; 1ZZI; 1ZZJ; 1ZZK
29 DIABLO Q9NR28 Diablo homolog, mitochondrial hsa04210; hsa04215 1FEW; 1G3F; 1G73; 1OXQ; 1TW6; 1XB0; 1XB1; 3D9U; 3UIH; 3UIJ; 4TX5
30 TUBB1 Q9H4B7 Tubulin beta-1 chain hsa04145; hsa04540; hsa05130 NA
31 SUCLG2 Q96I99 Succinyl-CoA ligase [GDP-forming] subunit beta, mitochondrial hsa00020; hsa00640; hsa01100; hsa01200 NA
32 HSPH1 Q92598 Heat shock protein 105 kDa hsa04141 NA
33 YWHAE P62258 14-3-3 protein epsilon hsa04110; hsa04114; hsa04151; hsa04390; hsa04722; hsa05169; hsa05203 2BR9; 3UAL; 3UBW
34 TUBB3 Q13509 Tubulin beta-3 chain hsa04145; hsa04540; hsa05130 NA
35 YWHAQ P27348 14-3-3 protein theta hsa04110; hsa04114; hsa04151; hsa04390; hsa05130; hsa05161; hsa05169; hsa05203 2BTP; 5IQP
36 TPM4 P67936 Tropomyosin alpha-4 chain hsa04260; hsa04261; hsa05410; hsa05414 NA
37 MT-ND1 P03886 NADH-ubiquinone oxidoreductase chain 1 hsa00190; hsa01100; hsa04714; hsa04723; hsa05012 NA
38 TUBB2A Q13885 Tubulin beta-2A chain hsa04145; hsa04540; hsa05130 NA
39 PSMC3 P17980 26S protease regulatory subunit 6A hsa03050; hsa05169 5GJQ; 5GJR; 5L4G; 5LN3; 5T0C; 5T0G; 5T0H; 5T0I; 5T0J
40 VIM P08670 Vimentin hsa05169; hsa05206 1GK4; 1GK6; 1GK7; 3G1E; 3KLT; 3S4R; 3SSU; 3SWK; 3TRT; 3UF1; 4MCY; 4MCZ; 4MD0; 4MD5; 4MDI; 4MDJ
41 TXN P10599 Thioredoxin hsa04621; hsa05418
42 ATP5L O75964 ATP synthase subunit g, mitochondrial hsa00190; hsa01100; hsa04714 NA
43 ATP5B P06576 ATP synthase subunit beta, mitochondrial hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA
44 CYB5B O43169 Cytochrome b5 type B NA 3NER
45 PSMA3 P25788 Proteasome subunit alpha type-3 hsa03050 4R3O; 4R67

20 predicted interactions (targets) of input drug (DB12695): Phenethyl Isothiocyanate
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 TUBB4A P04350 Tubulin beta-4A chain hsa04145; hsa04540; hsa05130 NA 58.9%
2 ADH1B P00325 Alcohol dehydrogenase 1B hsa00010; hsa00071; hsa00350; hsa00830; hsa00980; hsa00982; hsa01100; hsa05204 1DEH; 1HDX; 1HDY; 1HDZ; 1HSZ; 1HTB; 1U3U; 1U3V; 3HUD 48.8%
3 TUBA1B P68363 Tubulin alpha-1B chain hsa04145; hsa04210; hsa04530; hsa04540; hsa05130 2E4H 48.3%
4 TUBA8 Q9NY65 Tubulin alpha-8 chain hsa04145; hsa04210; hsa04530; hsa04540; hsa05130 NA 45.4%
5 TUBA1C Q9BQE3 Tubulin alpha-1C chain hsa04145; hsa04210; hsa04530; hsa04540; hsa05130 NA 44.6%
6 ACE P12821 Angiotensin-converting enzyme hsa04614; hsa04924; hsa05142; hsa05410 44.0%
7 AKR1C3 P42330 Aldo-keto reductase family 1 member C3 hsa00140; hsa00590; hsa00790; hsa01100; hsa04913 42.8%
8 TUBB P07437 Tubulin beta chain hsa04145; hsa04540; hsa05130 3QNZ; 3QO0 41.2%
9 TUBB6 Q9BUF5 Tubulin beta-6 chain hsa04145; hsa04540; hsa05130 NA 39.9%
10 ACPP P15309 Prostatic acid phosphatase NA 1CVI; 1ND5; 1ND6; 2HPA; 2L3H; 2L77; 2L79; 2MG0; 3PPD 38.5%
11 GRIA2 P42262 Glutamate receptor 2 hsa04024; hsa04080; hsa04713; hsa04720; hsa04723; hsa04724; hsa04728; hsa04730; hsa05014; hsa05030; hsa05031; hsa05033 2WJW; 2WJX; 2XHD; 3R7X; 3RN8; 3RNN; 3UA8 37.5%
12 TUBB2B Q9BVA1 Tubulin beta-2B chain hsa04145; hsa04540; hsa05130 NA 37.1%
13 GGPS1 O95749 Geranylgeranyl pyrophosphate synthase hsa00900; hsa01100 2Q80 36.0%
14 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 35.3%
15 ADH1A P07327 Alcohol dehydrogenase 1A hsa00010; hsa00071; hsa00350; hsa00830; hsa00980; hsa00982; hsa01100; hsa05204 1HSO; 1U3T 32.6%
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 32.1%
17 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN 31.6%
18 CACNA1D Q01668 Voltage-dependent L-type calcium channel subunit alpha-1D hsa04010; hsa04020; hsa04022; hsa04024; hsa04218; hsa04260; hsa04261; hsa04270; hsa04530; hsa04713; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04911; hsa04912; hsa04921; hsa04924; hsa04925; hsa04927; hsa04930; hsa04934; hsa04973; hsa05010; hsa05031; hsa05410; hsa05412; hsa05414 3LV3 31.6%
19 AHR P35869 Aryl hydrocarbon receptor hsa04659; hsa04934 NA 31.5%
20 CSNK1G2 P78368 Casein kinase I isoform gamma-2 hsa04340 2C47 31.4%


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.