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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
[C@]123[C@@]4([C@@H](O4)C[C@@H]4[C@@]2(CCC2=C4COC2=O)C)[C@@H]([C@@]2([C@H]([C@@H]1O3)O2)C(C)C)O

Prepared SMILES:
O=C1OCC2=C1CC[C@]1([C@H]2C[C@H]2[C@@]3([C@@]41O[C@H]4[C@@H]1O[C@@]1([C@H]3O)C(C)C)O2)C

P55085Proteinase-activated receptor 2 (PAR-2) (Coagulation factor II receptor-like 1) (G-protein ...G-protein coupled receptor 1 familyP550852150Homo sapiens (Human)0.007057881
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyP353545743Homo sapiens (Human)0.001763422
O15118NPC intracellular cholesterol transporter 1 (Niemann-Pick C1 protein)Patched familyO151184864Homo sapiens (Human)0.001517983
P51151Ras-related protein Rab-9ASmall GTPase superfamily, Rab familyP511519367Homo sapiens (Human)0.001433774
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.001171245
P08047Transcription factor Sp1Sp1 C2H2-type zinc-finger protein familyP080476667Homo sapiens (Human)0.001113616
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.0009974297
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.0006100398
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyQ162364780Homo sapiens (Human)0.0005553689
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP041502908Homo sapiens (Human)0.00055321410
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP082354306Homo sapiens (Human)0.00041972911
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...P042786462Homo sapiens (Human)0.00041056212
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00039223113
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...Q166653091Homo sapiens (Human)0.00037880614
O75874Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (IDH1) (EC 1.1.1.42) (Cytosolic NADP-isocitrate ...Isocitrate and isopropylmalate dehydrogenases familyO758743417Homo sapiens (Human)0.00033510915
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)0.00032033716
Q08828Adenylate cyclase type 1 (EC 4.6.1.1) (ATP pyrophosphate-lyase 1) (Adenylate ...Adenylyl cyclase class-4/guanylyl cyclase familyQ08828107Homo sapiens (Human)0.00031375117
P11473Vitamin D3 receptor (VDR) (1,25-dihydroxyvitamin D3 receptor) (Nuclear receptor subfamily ...Nuclear hormone receptor family, NR1 subfamilyP114737421Homo sapiens (Human)0.0003098518
P84022Mothers against decapentaplegic homolog 3 (MAD homolog 3) (Mad3) (Mothers ...Dwarfin/SMAD familyP840224088Homo sapiens (Human)0.00030950219
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyP10275367Homo sapiens (Human)0.00030871220
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP064015241Homo sapiens (Human)0.00030303321
Q16637Survival motor neuron protein (Component of gems 1) (Gemin-1)SMN familyQ166376606Homo sapiens (Human)0.00029127422
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyP033722099Homo sapiens (Human)0.00026861523
Q9NRY4Rho GTPase-activating protein 35 (Glucocorticoid receptor DNA-binding factor 1) (Glucocorticoid ...Q9NRY42909Homo sapiens (Human)0.00024939324
P43220Glucagon-like peptide 1 receptor (GLP-1 receptor) (GLP-1-R) (GLP-1R)G-protein coupled receptor 2 familyP432202740Homo sapiens (Human)0.00024597125
P50579Methionine aminopeptidase 2 (MAP 2) (MetAP 2) (EC 3.4.11.18) (Initiation ...Peptidase M24A family, Methionine aminopeptidase eukaryotic type 2 subfamilyP5057910988Homo sapiens (Human)0.00023841126
P54803Galactocerebrosidase (GALCERase) (EC 3.2.1.46) (Galactocerebroside beta-galactosidase) (Galactosylceramidase) (Galactosylceramide beta-galactosidase)Glycosyl hydrolase 59 familyP548032581Homo sapiens (Human)0.00023019727
Q13936Voltage-dependent L-type calcium channel subunit alpha-1C (Calcium channel, L type, ...Calcium channel alpha-1 subunit (TC 1.A.1.11) family, CACNA1C subfamilyQ13936775Homo sapiens (Human)0.00022494528
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)0.00022334829
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyP484494047Homo sapiens (Human)0.00022329430
Q6W5P4Neuropeptide S receptor (G-protein coupled receptor 154) (G-protein coupled receptor ...G-protein coupled receptor 1 family, Vasopressin/oxytocin receptor subfamilyQ6W5P4387129Homo sapiens (Human)0.00021779431
Q8TDU6G-protein coupled bile acid receptor 1 (G-protein coupled receptor GPCR19) ...G-protein coupled receptor 1 familyQ8TDU6151306Homo sapiens (Human)0.00021636932
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyP108287068Homo sapiens (Human)0.00021261333
Q9Y6L6Solute carrier organic anion transporter family member 1B1 (SLCO1B1) (Liver-specific ...Organo anion transporter (TC 2.A.60) familyQ9Y6L610599Homo sapiens (Human)0.00020970334
Q9NSA0Solute carrier family 22 member 11 (Organic anion transporter 4) ...Major facilitator (TC 2.A.1) superfamily, Organic cation transporter (TC 2.A.1.19) ...Q9NSA055867Homo sapiens (Human)0.00020612635
P08684Cytochrome P450 3A4 (EC 1.14.14.1) (1,4-cineole 2-exo-monooxygenase) (1,8-cineole 2-exo-monooxygenase) (EC ...Cytochrome P450 familyP086841576Homo sapiens (Human)0.0002037136
O75469Nuclear receptor subfamily 1 group I member 2 (Orphan nuclear ...Nuclear hormone receptor family, NR1 subfamilyO754698856Homo sapiens (Human)0.00020132837
P49798Regulator of G-protein signaling 4 (RGP4) (RGS4)P497985999Homo sapiens (Human)0.00019874438
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyP349721269Homo sapiens (Human)0.00019634739
P11137Microtubule-associated protein 2 (MAP-2)P111374133Homo sapiens (Human)0.00019568440
Q96QE3ATPase family AAA domain-containing protein 5 (Chromosome fragility-associated gene 1 ...AAA ATPase familyQ96QE379915Homo sapiens (Human)0.00019157741
P33261Cytochrome P450 2C19 (EC 1.14.14.1) ((R)-limonene 6-monooxygenase) (EC 1.14.14.53) ((S)-limonene ...Cytochrome P450 familyP332611557Homo sapiens (Human)0.00018833742
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyP040353156Homo sapiens (Human)0.00018567543
Q96RI1Bile acid receptor (Farnesoid X-activated receptor) (Farnesol receptor HRR-1) (Nuclear ...Nuclear hormone receptor family, NR1 subfamilyQ96RI19971Homo sapiens (Human)0.0001828544
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyP514496097Homo sapiens (Human)0.0001780445
O00206Toll-like receptor 4 (hToll) (CD antigen CD284)Toll-like receptor familyO002067099Homo sapiens (Human)0.00017775546
P08185Corticosteroid-binding globulin (CBG) (Serpin A6) (Transcortin)Serpin familyP08185866Homo sapiens (Human)0.00017537347
P02774Vitamin D-binding protein (DBP) (VDB) (Gc protein-derived macrophage activating factor) ...ALB/AFP/VDB familyP027742638Homo sapiens (Human)0.00017450848
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyQ997052847Homo sapiens (Human)0.00017195349
Q12809Potassium voltage-gated channel subfamily H member 2 (Eag homolog) (Ether-a-go-go-related ...Potassium channel family, H (Eag) (TC 1.A.1.20) subfamily, Kv11.1/KCNH2 sub-subfamilyQ128093757Homo sapiens (Human)0.00017107750

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
192192025-11-17
20:37:43		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

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