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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
O1C(=O)[C@]23[C@]([C@H]4[C@H]([C@@H]1C3)[C@@H]1C(=O)O[C@H](C4)C1)(C[C@@H](O2)c1cocc1)C

Prepared SMILES:
O=C1O[C@H]2C[C@@H]1[C@H]1[C@H]3OC(=O)[C@]4(C3)[C@@]([C@@H]1C2)(C)C[C@@H](O4)c1cocc1

O14983Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (SERCA1) (SR Ca(2+)-ATPase 1) (EC ...Cation transport ATPase (P-type) (TC 3.A.3) family, Type IIA subfamilyO14983487Homo sapiens (Human)0.0008345211
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyP411454986Homo sapiens (Human)0.0007296312
P25116Proteinase-activated receptor 1 (PAR-1) (Coagulation factor II receptor) (Thrombin receptor)G-protein coupled receptor 1 familyP251162149Homo sapiens (Human)0.0006636823
P07327Alcohol dehydrogenase 1A (EC 1.1.1.1) (Alcohol dehydrogenase subunit alpha)Zinc-containing alcohol dehydrogenase familyP07327124Homo sapiens (Human)0.0005720944
P62942Peptidyl-prolyl cis-trans isomerase FKBP1A (PPIase FKBP1A) (EC 5.2.1.8) (12 kDa ...FKBP-type PPIase family, FKBP1 subfamilyP629422280Homo sapiens (Human)0.0005574815
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.0005553346
P12872Promotilin [Cleaved into: Motilin; Motilin-associated peptide (MAP)]Motilin familyP128724295Homo sapiens (Human)0.000521957
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.0004988528
P040353-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA reductase) (EC 1.1.1.34)HMG-CoA reductase familyP040353156Homo sapiens (Human)0.0004914359
P05093Steroid 17-alpha-hydroxylase/17,20 lyase (EC 1.14.14.19) (17-alpha-hydroxyprogesterone aldolase) (EC 1.14.14.32) (CYPXVII) ...Cytochrome P450 familyP050931586Homo sapiens (Human)0.00045678510
P19099Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (Aldosterone-synthesizing enzyme) (CYPXIB2) ...Cytochrome P450 familyP190991585Homo sapiens (Human)0.00045097911
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP041502908Homo sapiens (Human)0.00043250712
P15538Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ...Cytochrome P450 familyP155381584Homo sapiens (Human)0.00042015413
Q01959Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamilyQ019596531Homo sapiens (Human)0.00041906214
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP082354306Homo sapiens (Human)0.0004172515
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyP411434985Homo sapiens (Human)0.00040287916
P23975Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamilyP239756530Homo sapiens (Human)0.00040112517
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyP353724988Homo sapiens (Human)0.00038952918
P41594Metabotropic glutamate receptor 5 (mGluR5)G-protein coupled receptor 3 familyP415942915Homo sapiens (Human)0.00037967819
P31645Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ...Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamilyP316456532Homo sapiens (Human)0.00037144220
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyP115111588Homo sapiens (Human)0.00036309421
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyQ162364780Homo sapiens (Human)0.00035043722
P25105Platelet-activating factor receptor (PAF-R) (PAFr)G-protein coupled receptor 1 familyP251055724Homo sapiens (Human)0.00034766323
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP064015241Homo sapiens (Human)0.00033361324
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00032472725
P23416Glycine receptor subunit alpha-2Ligand-gated ion channel (TC 1.A.9) family, Glycine receptor (TC 1.A.9.3) ...P234162742Homo sapiens (Human)0.00031154726
P21731Thromboxane A2 receptor (TXA2-R) (Prostanoid TP receptor)G-protein coupled receptor 1 familyP217316915Homo sapiens (Human)0.0003061327
P23415Glycine receptor subunit alpha-1 (Glycine receptor 48 kDa subunit) (Glycine ...Ligand-gated ion channel (TC 1.A.9) family, Glycine receptor (TC 1.A.9.3) ...P234152741Homo sapiens (Human)0.0002955228
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyP10275367Homo sapiens (Human)0.00029144929
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)0.00029138730
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)0.00028315731
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00027932432
Q8TDV5Glucose-dependent insulinotropic receptor (G-protein coupled receptor 119)G-protein coupled receptor 1 familyQ8TDV5139760Homo sapiens (Human)0.00027378433
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyP033722099Homo sapiens (Human)0.00026835234
O75874Isocitrate dehydrogenase [NADP] cytoplasmic (IDH) (IDH1) (EC 1.1.1.42) (Cytosolic NADP-isocitrate ...Isocitrate and isopropylmalate dehydrogenases familyO758743417Homo sapiens (Human)0.00026249235
P27338Amine oxidase [flavin-containing] B (EC 1.4.3.21) (EC 1.4.3.4) (Monoamine oxidase ...Flavin monoamine oxidase familyP273384129Homo sapiens (Human)0.00026232336
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)0.00026053637
Q16637Survival motor neuron protein (Component of gems 1) (Gemin-1)SMN familyQ166376606Homo sapiens (Human)0.00025450838
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...Q166653091Homo sapiens (Human)0.00024704139
P11229Muscarinic acetylcholine receptor M1G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM1 ...P112291128Homo sapiens (Human)0.00023989740
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyP349132053Homo sapiens (Human)0.00023952841
P06276Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ...Type-B carboxylesterase/lipase familyP06276590Homo sapiens (Human)0.00023926142
Q9Y6L6Solute carrier organic anion transporter family member 1B1 (SLCO1B1) (Liver-specific ...Organo anion transporter (TC 2.A.60) familyQ9Y6L610599Homo sapiens (Human)0.0002388243
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...P042786462Homo sapiens (Human)0.00023699944
P20309Muscarinic acetylcholine receptor M3G-protein coupled receptor 1 family, Muscarinic acetylcholine receptor subfamily, CHRM3 ...P203091131Homo sapiens (Human)0.00023385745
P08842Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Estrone sulfatase) (Steroid sulfatase) ...Sulfatase familyP08842412Homo sapiens (Human)0.000229246
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)0.00022556147
Q9H244P2Y purinoceptor 12 (P2Y12) (ADP-glucose receptor) (ADPG-R) (P2T(AC)) (P2Y(AC)) (P2Y(cyc)) ...G-protein coupled receptor 1 familyQ9H24464805Homo sapiens (Human)0.00022422948
Q92731Estrogen receptor beta (ER-beta) (Nuclear receptor subfamily 3 group A ...Nuclear hormone receptor family, NR3 subfamilyQ927312100Homo sapiens (Human)0.00022393249
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyQ9Y5N111255Homo sapiens (Human)0.00021734850

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
192512025-11-17
20:49:20		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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