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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
CCCCCC1=CC(=C2C(=C1)OC3=C(C=CC(=C23)C(C)C)C)O

Prepared SMILES:
CCCCCc1cc(O)c2c(c1)oc1c2c(ccc1C)C(C)C

Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)2.979391
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)2.898942
Q15722Leukotriene B4 receptor 1 (LTB4-R 1) (LTB4-R1) (Chemoattractant receptor-like 1) ...G-protein coupled receptor 1 familyLTB4R1241;Homo sapiens (Human)2.85413
P48039Melatonin receptor type 1A (Mel-1A-R) (Mel1a receptor)G-protein coupled receptor 1 familyMTNR1A4543;Homo sapiens (Human)2.75174
P07550Beta-2 adrenergic receptor (Beta-2 adrenoreceptor) (Beta-2 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB2 sub-subfamilyADRB2154;Homo sapiens (Human)2.704855
P49286Melatonin receptor type 1B (Mel-1B-R) (Mel1b receptor)G-protein coupled receptor 1 familyMTNR1B4544;Homo sapiens (Human)2.611536
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyCNR11268;Homo sapiens (Human)2.572017
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Oleamide ...Amidase familyFAAH2166;Homo sapiens (Human)2.566558
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyHMGCR3156;Homo sapiens (Human)2.302919
P35367Histamine H1 receptor (H1R) (HH1R)G-protein coupled receptor 1 familyHRH13269;Homo sapiens (Human)2.2863810
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)2.2210611
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (EC 1.14.15.4) (EC ...Cytochrome P450 familyCYP11B21585;Homo sapiens (Human)2.1652412
Q136395-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)G-protein coupled receptor 1 familyHTR43360;Homo sapiens (Human)2.1104813
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)2.022814
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.4) (Monoamine oxidase type B) ...Flavin monoamine oxidase familyMAOB4129;Homo sapiens (Human)1.967815
P43166Carbonic anhydrase 7 (EC 4.2.1.1) (Carbonate dehydratase VII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA7766;Homo sapiens (Human)1.9559316
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)1.899417
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)1.857618
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyOPRD14985;Homo sapiens (Human)1.8119419
P20309Muscarinic acetylcholine receptor M3G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...CHRM31131;Homo sapiens (Human)1.7739520
Q13547Histone deacetylase 1 (HD1) (EC 3.5.1.98)Histone deacetylase family, HD type 1 subfamilyHDAC13065;Homo sapiens (Human)1.7635821
O00748Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ...Type-B carboxylesterase/lipase familyCES28824;Homo sapiens (Human)1.7346722
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyTRPV17442;Homo sapiens (Human)1.6918223
O43570Carbonic anhydrase 12 (EC 4.2.1.1) (Carbonate dehydratase XII) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA12771;Homo sapiens (Human)1.6886224
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.6600625
P089085-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamilyHTR1A3350;Homo sapiens (Human)1.6508726
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)1.6384827
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyPGR5241;Homo sapiens (Human)1.6122828
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyNR3C12908;Homo sapiens (Human)1.5986229
P22303Acetylcholinesterase (AChE) (EC 3.1.1.7)Type-B carboxylesterase/lipase familyACHE43;Homo sapiens (Human)1.5380230
P41146Nociceptin receptor (Kappa-type 3 opioid receptor) (KOR-3) (Orphanin FQ receptor)G-protein coupled receptor 1 familyOPRL14987;Homo sapiens (Human)1.5318831
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)1.5296732
P25101Endothelin-1 receptor (Endothelin receptor type A) (ET-A) (ETA-R) (hET-AR)G-protein coupled receptor 1 family, Endothelin receptor subfamily, EDNRA sub-subfamilyEDNRA1909;Homo sapiens (Human)1.527533
P08912Muscarinic acetylcholine receptor M5G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 ...CHRM51133;Homo sapiens (Human)1.5008234
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)1.4902935
P08173Muscarinic acetylcholine receptor M4G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...CHRM41132;Homo sapiens (Human)1.4860536
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)1.4658337
Q99705Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ...G-protein coupled receptor 1 familyMCHR12847;Homo sapiens (Human)1.4485938
P35228Nitric oxide synthase, inducible (EC 1.14.13.39) (Hepatocyte NOS) (HEP-NOS) (Inducible ...NOS familyNOS24843;Homo sapiens (Human)1.3984839
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilySLC6A46532;Homo sapiens (Human)1.3957840
P22748Carbonic anhydrase 4 (EC 4.2.1.1) (Carbonate dehydratase IV) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA4762;Homo sapiens (Human)1.3617441
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyEPHX22053;Homo sapiens (Human)1.3514642
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyTDP155775;Homo sapiens (Human)1.3310643
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)1.3249944
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyBCHE590;Homo sapiens (Human)1.3145245
P00748Coagulation factor XII (EC 3.4.21.38) (Hageman factor) (HAF) [Cleaved into: ...Peptidase S1 familyF122161;Homo sapiens (Human)1.259346
P27487Dipeptidyl peptidase 4 (EC 3.4.14.5) (ADABP) (Adenosine deaminase complexing protein ...Peptidase S9B family, DPPIV subfamilyDPP41803;Homo sapiens (Human)1.2586447
P08588Beta-1 adrenergic receptor (Beta-1 adrenoreceptor) (Beta-1 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB1 sub-subfamilyADRB1153;Homo sapiens (Human)1.2507748
P35968Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyKDR3791;Homo sapiens (Human)1.2458449
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)1.2441150

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
193402025-11-19
16:32:53		Target proteinsWeighted Substructure-Drug-Target Network-Based Inference (wSDTNBI)Global drug-target interaction (DTI) network (version 2020)PubChem Downloadα = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50Download

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