Job ID(s):

Get results

Results

Download as: CSV TSV

CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
[H]OC(=O)[C@]12CC[C@@]([H])(C(C)=C)[C@]1([H])[C@@]1([H])CC[C@]3([H])[C@@]4(C)CC[C@]([H])(O[H])C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2

Prepared SMILES:
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O

Q9UBE0SUMO-activating enzyme subunit 1 (Ubiquitin-like 1-activating enzyme E1A) [Cleaved into: ...Ubiquitin-activating E1 familyQ9UBE010055Homo sapiens (Human)0.0025931
Q8TDU6G-protein coupled bile acid receptor 1 (G-protein coupled receptor GPCR19) ...G-protein coupled receptor 1 familyQ8TDU6151306Homo sapiens (Human)0.002029692
O60218Aldo-keto reductase family 1 member B10 (EC 1.1.1.300) (EC 1.1.1.54) ...Aldo/keto reductase familyO6021857016Homo sapiens (Human)0.001801463
P02511Alpha-crystallin B chain (Alpha(B)-crystallin) (Heat shock protein beta-5) (HspB5) (Renal ...Small heat shock protein (HSP20) familyP025111410Homo sapiens (Human)0.00145574
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...P042786462Homo sapiens (Human)0.001190465
P191741-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 (EC 3.1.4.11) (PLC-148) (Phosphoinositide phospholipase C-gamma-1) ...P191745335Homo sapiens (Human)0.001124626
P8036511-beta-hydroxysteroid dehydrogenase type 2 (11-DH2) (11-beta-HSD2) (EC 1.1.1.-) (11-beta-hydroxysteroid dehydrogenase ...Short-chain dehydrogenases/reductases (SDR) familyP803653291Homo sapiens (Human)0.001106867
P02768AlbuminALB/AFP/VDB familyP02768213Homo sapiens (Human)0.0009674178
Q96RI1Bile acid receptor (Farnesoid X-activated receptor) (Farnesol receptor HRR-1) (Nuclear ...Nuclear hormone receptor family, NR1 subfamilyQ96RI19971Homo sapiens (Human)0.0009327679
P18031Tyrosine-protein phosphatase non-receptor type 1 (EC 3.1.3.48) (Protein-tyrosine phosphatase 1B) ...Protein-tyrosine phosphatase family, Non-receptor class 1 subfamilyP180315770Homo sapiens (Human)0.00090569410
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.00079415511
Q8IUX4DNA dC->dU-editing enzyme APOBEC-3F (EC 3.5.4.38) (Apolipoprotein B mRNA-editing enzyme ...Cytidine and deoxycytidylate deaminase familyQ8IUX4200316Homo sapiens (Human)0.00077682712
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.00071489313
P2884511-beta-hydroxysteroid dehydrogenase 1 (11-DH) (11-beta-HSD1) (EC 1.1.1.146) (7-oxosteroid reductase) (EC ...Short-chain dehydrogenases/reductases (SDR) familyP288453290Homo sapiens (Human)0.00069485814
P06746DNA polymerase beta (EC 2.7.7.7) (EC 4.2.99.-)DNA polymerase type-X familyP067465423Homo sapiens (Human)0.00063696115
Q9HC16DNA dC->dU-editing enzyme APOBEC-3G (EC 3.5.4.38) (APOBEC-related cytidine deaminase) (APOBEC-related ...Cytidine and deoxycytidylate deaminase familyQ9HC1660489Homo sapiens (Human)0.00062273516
P20292Arachidonate 5-lipoxygenase-activating protein (FLAP) (MK-886-binding protein)MAPEG familyP20292241Homo sapiens (Human)0.00057418917
Q9Y253DNA polymerase eta (EC 2.7.7.7) (RAD30 homolog A) (Xeroderma pigmentosum ...DNA polymerase type-Y familyQ9Y2535429Homo sapiens (Human)0.00054969918
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyP040353156Homo sapiens (Human)0.00053701319
Q9H7Z7Prostaglandin E synthase 2 (EC 5.3.99.3) (Membrane-associated prostaglandin E synthase-2) ...GST superfamilyQ9H7Z780142Homo sapiens (Human)0.0005101520
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00049987521
Q03431Parathyroid hormone/parathyroid hormone-related peptide receptor (PTH/PTHrP type I receptor) (PTH/PTHr ...G-protein coupled receptor 2 familyQ034315745Homo sapiens (Human)0.00049441922
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyQ157221241Homo sapiens (Human)0.00049081623
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP064015241Homo sapiens (Human)0.00048577824
P04637Cellular tumor antigen p53 (Antigen NY-CO-13) (Phosphoprotein p53) (Tumor suppressor ...P53 familyP046377157Homo sapiens (Human)0.00045660525
P43220Glucagon-like peptide 1 receptor (GLP-1 receptor) (GLP-1-R) (GLP-1R)G-protein coupled receptor 2 familyP432202740Homo sapiens (Human)0.00044546426
Q06124Tyrosine-protein phosphatase non-receptor type 11 (EC 3.1.3.48) (Protein-tyrosine phosphatase 1D) ...Protein-tyrosine phosphatase family, Non-receptor class 2 subfamilyQ061245781Homo sapiens (Human)0.00044467227
Q9Y6L6Solute carrier organic anion transporter family member 1B1 (SLCO1B1) (Liver-specific ...Organo anion transporter (TC 2.A.60) familyQ9Y6L610599Homo sapiens (Human)0.00044232728
Q9NPD5Solute carrier organic anion transporter family member 1B3 (Liver-specific organic ...Organo anion transporter (TC 2.A.60) familyQ9NPD528234Homo sapiens (Human)0.00043599329
P08185Corticosteroid-binding globulin (CBG) (Serpin A6) (Transcortin)Serpin familyP08185866Homo sapiens (Human)0.00041756130
Q96KQ7Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.367) (Euchromatic histone-lysine N-methyltransferase ...Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamilyQ96KQ710919Homo sapiens (Human)0.0004034631
Q9UBT6DNA polymerase kappa (EC 2.7.7.7) (DINB protein) (DINP)DNA polymerase type-Y familyQ9UBT651426Homo sapiens (Human)0.0003918732
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP041502908Homo sapiens (Human)0.00038232533
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00036495134
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyP033722099Homo sapiens (Human)0.00035400335
Q16678Cytochrome P450 1B1 (EC 1.14.14.1) (CYPIB1) (Hydroperoxy icosatetraenoate dehydratase) (EC ...Cytochrome P450 familyQ166781545Homo sapiens (Human)0.00034629136
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyP10275367Homo sapiens (Human)0.00034473337
P08575Receptor-type tyrosine-protein phosphatase C (EC 3.1.3.48) (Leukocyte common antigen) (L-CA) ...Protein-tyrosine phosphatase family, Receptor class 1/6 subfamilyP085755788Homo sapiens (Human)0.00033776138
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyQ162364780Homo sapiens (Human)0.0003249539
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyP352284843Homo sapiens (Human)0.00032113640
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyP514496097Homo sapiens (Human)0.00031948341
P13726Tissue factor (TF) (Coagulation factor III) (Thromboplastin) (CD antigen CD142)Tissue factor familyP137262152Homo sapiens (Human)0.00031633742
Q04609Glutamate carboxypeptidase 2 (EC 3.4.17.21) (Cell growth-inhibiting gene 27 protein) ...Peptidase M28 family, M28B subfamilyQ046092346Homo sapiens (Human)0.00030406743
P09936Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCH-L1) (EC 3.4.19.12) (Neuron cytoplasmic ...Peptidase C12 familyP099367345Homo sapiens (Human)0.00029743144
P16473Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R)G-protein coupled receptor 1 family, FSH/LSH/TSH subfamilyP164737253Homo sapiens (Human)0.00029417145
Q00613Heat shock factor protein 1 (HSF 1) (Heat shock transcription ...HSF familyQ006133297Homo sapiens (Human)0.00029224546
Q9UGC6Regulator of G-protein signaling 17 (RGS17)Q9UGC626575Homo sapiens (Human)0.00029079547
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP082354306Homo sapiens (Human)0.00028671748
P17706Tyrosine-protein phosphatase non-receptor type 2 (EC 3.1.3.48) (T-cell protein-tyrosine phosphatase) ...Protein-tyrosine phosphatase family, Non-receptor class 1 subfamilyP177065771Homo sapiens (Human)0.00027986349
Q16637Survival motor neuron protein (Component of gems 1) (Gemin-1)SMN familyQ166376606Homo sapiens (Human)0.0002758250

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
185972025-10-21
16:19:09		Target proteinsBalanced Substructure-Drug-Target Network-Based Inference (bSDTNBI)Global drug-target interaction (DTI) network for the study of AA13 (version 2022)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.3, β = 0.1, γ = -0.5, k = 2, Top 50Download

Page last updated at 2023-11-29 11:11:44 (Asia/Shanghai) | Unique visitor: 355369 | Page view: 2653921

Copyright © 2019-2023 Laboratory of Molecular Modeling and Design, School of Pharmacy,
East China University of Science and Technology. All rights reserved.