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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
C(C)(C)c1c(O)c(C(C)C)ccc1

Prepared SMILES:
CC(c1cccc(c1O)C(C)C)C

P349695-hydroxytryptamine receptor 7 (5-HT-7) (5-HT7) (5-HT-X) (Serotonin receptor 7)G-protein coupled receptor 1 familyHTR73363;Homo sapiens (Human)2.672891
P10827Thyroid hormone receptor alpha (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRA7067;Homo sapiens (Human)2.408762
P08173Muscarinic acetylcholine receptor M4G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM4 ...CHRM41132;Homo sapiens (Human)2.24883
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...CHRM11128;Homo sapiens (Human)2.187894
P08912Muscarinic acetylcholine receptor M5G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM5 ...CHRM51133;Homo sapiens (Human)1.902155
P51878Caspase-5 (CASP-5) (EC 3.4.22.58) (ICE(rel)-III) (Protease ICH-3) (Protease TY) [Cleaved ...Peptidase C14A familyCASP5838;Homo sapiens (Human)1.864176
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyTHRB7068;Homo sapiens (Human)1.832917
Q99720Sigma non-opioid intracellular receptor 1 (Aging-associated gene 8 protein) (SR31747-binding ...ERG2 familySIGMAR110280;Homo sapiens (Human)1.805848
P35462D(3) dopamine receptor (Dopamine D3 receptor)G-protein coupled receptor 1 familyDRD31814;Homo sapiens (Human)1.750549
P08172Muscarinic acetylcholine receptor M2G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM2 ...CHRM21129;Homo sapiens (Human)1.6522510
P12104Fatty acid-binding protein, intestinal (Fatty acid-binding protein 2) (Intestinal-type fatty ...Calycin superfamily, Fatty-acid binding protein (FABP) familyFABP22169;Homo sapiens (Human)1.6501711
P20309Muscarinic acetylcholine receptor M3G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...CHRM31131;Homo sapiens (Human)1.6384212
P49662Caspase-4 (CASP-4) (EC 3.4.22.57) (ICE and Ced-3 homolog 2) (ICH-2) ...Peptidase C14A familyCASP4837;Homo sapiens (Human)1.4610513
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilySLC6A36531;Homo sapiens (Human)1.4444414
P25100Alpha-1D adrenergic receptor (Alpha-1A adrenergic receptor) (Alpha-1D adrenoreceptor) (Alpha-1D adrenoceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1D sub-subfamilyADRA1D146;Homo sapiens (Human)1.3977915
Q6UVM3Potassium channel subfamily T member 2 (Sequence like an intermediate ...Potassium channel family, Calcium-activated (TC 1.A.1.3) subfamily, KCa4.2/KCNT2 sub-subfamilyKCNT2343450;Homo sapiens (Human)1.3854516
P285665-hydroxytryptamine receptor 1E (5-HT-1E) (5-HT1E) (S31) (Serotonin receptor 1E)G-protein coupled receptor 1 familyHTR1E3354;Homo sapiens (Human)1.3772717
P14416D(2) dopamine receptor (Dopamine D2 receptor)G-protein coupled receptor 1 familyDRD21813;Homo sapiens (Human)1.2955918
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)1.2701319
P21917D(4) dopamine receptor (D(2C) dopamine receptor) (Dopamine D4 receptor)G-protein coupled receptor 1 familyDRD41815;Homo sapiens (Human)1.2655620
P35367Histamine H1 receptor (H1R) (HH1R)G-protein coupled receptor 1 familyHRH13269;Homo sapiens (Human)1.2570121
P18825Alpha-2C adrenergic receptor (Alpha-2 adrenergic receptor subtype C4) (Alpha-2C adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2C sub-subfamilyADRA2C152;Homo sapiens (Human)1.2047622
P282215-hydroxytryptamine receptor 1D (5-HT-1D) (5-HT1D) (Serotonin 1D alpha receptor) (5-HT-1D-alpha) ...G-protein coupled receptor 1 familyHTR1D3352;Homo sapiens (Human)1.045623
P0DMS8Adenosine receptor A3G-protein coupled receptor 1 familyADORA3140;Homo sapiens (Human)1.0455224
P25021Histamine H2 receptor (H2R) (HH2R) (Gastric receptor I)G-protein coupled receptor 1 familyHRH23274;Homo sapiens (Human)1.0410725
P18089Alpha-2B adrenergic receptor (Alpha-2 adrenergic receptor subtype C2) (Alpha-2B adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2B sub-subfamilyADRA2B151;Homo sapiens (Human)1.0203126
P08913Alpha-2A adrenergic receptor (Alpha-2 adrenergic receptor subtype C10) (Alpha-2A adrenoreceptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA2A sub-subfamilyADRA2A150;Homo sapiens (Human)0.99018527
P460985-hydroxytryptamine receptor 3A (5-HT3-A) (5-HT3A) (5-hydroxytryptamine receptor 3) (5-HT-3) (5-HT3R) ...Ligand-gated ion channel (TC 1.A.9) family, 5-hydroxytryptamine receptor (TC 1.A.9.2) ...HTR3A3359;Homo sapiens (Human)0.98129828
P35354Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ...Prostaglandin G/H synthase familyPTGS25743;Homo sapiens (Human)0.96631829
P478985-hydroxytryptamine receptor 5A (5-HT-5) (5-HT-5A) (5-HT5A) (Serotonin receptor 5A)G-protein coupled receptor 1 familyHTR5A3361;Homo sapiens (Human)0.95523530
P21397Amine oxidase [flavin-containing] A (EC 1.4.3.4) (Monoamine oxidase type A) ...Flavin monoamine oxidase familyMAOA4128;Homo sapiens (Human)0.95081931
P05177Cytochrome P450 1A2 (EC 1.14.14.1) (CYPIA2) (Cholesterol 25-hydroxylase) (Cytochrome P(3)450) ...Cytochrome P450 familyCYP1A21544;Homo sapiens (Human)0.93072532
P55211Caspase-9 (CASP-9) (EC 3.4.22.62) (Apoptotic protease Mch-6) (Apoptotic protease-activating factor ...Peptidase C14A familyCASP9842;Homo sapiens (Human)0.92575533
Q136395-hydroxytryptamine receptor 4 (5-HT-4) (5-HT4) (Serotonin receptor 4)G-protein coupled receptor 1 familyHTR43360;Homo sapiens (Human)0.91631734
P35348Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) ...G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRA1A sub-subfamilyADRA1A148;Homo sapiens (Human)0.89780135
P282235-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A)G-protein coupled receptor 1 familyHTR2A3356;Homo sapiens (Human)0.87865736
P282225-hydroxytryptamine receptor 1B (5-HT-1B) (5-HT1B) (S12) (Serotonin 1D beta receptor) ...G-protein coupled receptor 1 familyHTR1B3351;Homo sapiens (Human)0.87647137
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyCNR21269;Homo sapiens (Human)0.87015238
P00918Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ...Alpha-carbonic anhydrase familyCA2760;Homo sapiens (Human)0.84012439
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyESR12099;Homo sapiens (Human)0.81419540
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)0.80236241
P309395-hydroxytryptamine receptor 1F (5-HT-1F) (5-HT1F) (Serotonin receptor 1F)G-protein coupled receptor 1 familyHTR1F3355;Homo sapiens (Human)0.79728242
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-subfamilyKCNH23757;Homo sapiens (Human)0.76989343
P43681Neuronal acetylcholine receptor subunit alpha-4Ligand-gated ion channel (TC 1.A.9) family, Acetylcholine receptor (TC 1.A.9.1) ...CHRNA41137;Homo sapiens (Human)0.76911244
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)0.76508345
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyESR22100;Homo sapiens (Human)0.75525246
P10635Cytochrome P450 2D6 (EC 1.14.14.1) (CYPIID6) (Cholesterol 25-hydroxylase) (Cytochrome P450-DB1) ...Cytochrome P450 familyCYP2D61565;Homo sapiens (Human)0.74290347
P21918D(1B) dopamine receptor (D(5) dopamine receptor) (D1beta dopamine receptor) (Dopamine ...G-protein coupled receptor 1 familyDRD51816;Homo sapiens (Human)0.73863548
P13945Beta-3 adrenergic receptor (Beta-3 adrenoreceptor) (Beta-3 adrenoceptor)G-protein coupled receptor 1 family, Adrenergic receptor subfamily, ADRB3 sub-subfamilyADRB3155;Homo sapiens (Human)0.71882349
P415955-hydroxytryptamine receptor 2B (5-HT-2B) (5-HT2B) (Serotonin receptor 2B)G-protein coupled receptor 1 familyHTR2B3357;Homo sapiens (Human)0.717526Known
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyOPRK14986;Homo sapiens (Human)0.68167350
P283355-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ...G-protein coupled receptor 1 familyHTR2C3358;Homo sapiens (Human)0.596508Known
P23219Prostaglandin G/H synthase 1 (EC 1.14.99.1) (Cyclooxygenase-1) (COX-1) (Prostaglandin H2 ...Prostaglandin G/H synthase familyPTGS15742;Homo sapiens (Human)0.420314Known
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilySLC6A26530;Homo sapiens (Human)0.291196Known

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
191132025-11-17
15:02:41		Target proteinsWeighted Substructure-Drug-Target Network-Based Inference (wSDTNBI)Global drug-target interaction (DTI) network (version 2020)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50Download

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