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CompoundTarget IDProtein namesProtein familiesGene symbolsGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
[C@@H]1(O)C7(CO)[C@@H](C3C56C2[C@@]1(O)C(=O)[C@@H](C)C2[C@@H](C)CCCCCCCC4(OC(C(C)=C)([C@H]3O4)C[C@@H]5C)O6)O7

Prepared SMILES:
OCC12O[C@@H]1C1[C@@H]3OC45OC1(C1[C@@]([C@@H]2O)(O)C(=O)[C@H](C1[C@@H](C)CCCCCCC5)C)[C@H](CC3(O4)C(=C)C)C

P98161Polycystin-1 (PC1) (Autosomal dominant polycystic kidney disease 1 protein)Polycystin familyP981615310Homo sapiens (Human)0.003634611
Q8NER1Transient receptor potential cation channel subfamily V member 1 (TrpV1) ...Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamilyQ8NER17442Homo sapiens (Human)0.00135142
P17252Protein kinase C alpha type (PKC-A) (PKC-alpha) (EC 2.7.11.13)Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyP172525578Homo sapiens (Human)0.001051533
Q99558Mitogen-activated protein kinase kinase kinase 14 (EC 2.7.11.25) (NF-kappa-beta-inducing kinase) ...Protein kinase superfamily, STE Ser/Thr protein kinase family, MAP kinase ...Q995589020Homo sapiens (Human)0.0008156184
Q15118[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (EC 2.7.11.2) (Pyruvate ...PDK/BCKDK protein kinase familyQ151185163Homo sapiens (Human)0.0007193845
Q05655Protein kinase C delta type (EC 2.7.11.13) (Tyrosine-protein kinase PRKCD) ...Protein kinase superfamily, AGC Ser/Thr protein kinase family, PKC subfamilyQ056555580Homo sapiens (Human)0.0006595036
O95267RAS guanyl-releasing protein 1 (Calcium and DAG-regulated guanine nucleotide exchange ...RASGRP familyO9526710125Homo sapiens (Human)0.0006126047
Q8IV61Ras guanyl-releasing protein 3 (Calcium and DAG-regulated guanine nucleotide exchange ...RASGRP familyQ8IV6125780Homo sapiens (Human)0.0005372918
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)0.0005290679
P04278Sex hormone-binding globulin (SHBG) (Sex steroid-binding protein) (SBP) (Testis-specific androgen-binding ...P042786462Homo sapiens (Human)0.00044847910
Q9NUW8Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-)Tyrosyl-DNA phosphodiesterase familyQ9NUW855775Homo sapiens (Human)0.00038369311
O75496GemininGeminin familyO7549651053Homo sapiens (Human)0.00037830212
Q9NY91Solute carrier family 5 member 4Sodium:solute symporter (SSF) (TC 2.A.21) familyQ9NY916527Homo sapiens (Human)0.00037637913
Q8TDU6G-protein coupled bile acid receptor 1 (G-protein coupled receptor GPCR19) ...G-protein coupled receptor 1 familyQ8TDU6151306Homo sapiens (Human)0.00034996514
P12872Promotilin [Cleaved into: Motilin; Motilin-associated peptide (MAP)]Motilin familyP128724295Homo sapiens (Human)0.0003163515
P04150Glucocorticoid receptor (GR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP041502908Homo sapiens (Human)0.00028791616
P08235Mineralocorticoid receptor (MR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP082354306Homo sapiens (Human)0.00028587317
P02545Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ...Intermediate filament familyP025454000Homo sapiens (Human)0.00028128818
P06401Progesterone receptor (PR) (Nuclear receptor subfamily 3 group C member ...Nuclear hormone receptor family, NR3 subfamilyP064015241Homo sapiens (Human)0.00027294419
P13866Sodium/glucose cotransporter 1 (Na(+)/glucose cotransporter 1) (High affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familyP138666523Homo sapiens (Human)0.00027069520
P27695DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ...DNA repair enzymes AP/ExoA familyP27695328Homo sapiens (Human)0.00026044821
Q16236Nuclear factor erythroid 2-related factor 2 (NF-E2-related factor 2) (NFE2-related ...BZIP family, CNC subfamilyQ162364780Homo sapiens (Human)0.00025850822
P31639Sodium/glucose cotransporter 2 (Na(+)/glucose cotransporter 2) (Low affinity sodium-glucose cotransporter) ...Sodium:solute symporter (SSF) (TC 2.A.21) familyP316396524Homo sapiens (Human)0.0002533723
P41145Kappa-type opioid receptor (K-OR-1) (KOR-1)G-protein coupled receptor 1 familyP411454986Homo sapiens (Human)0.00024698724
Q9NPD5Solute carrier organic anion transporter family member 1B3 (Liver-specific organic ...Organo anion transporter (TC 2.A.60) familyQ9NPD528234Homo sapiens (Human)0.00023830225
Q14416Metabotropic glutamate receptor 2 (mGluR2)G-protein coupled receptor 3 familyQ144162912Homo sapiens (Human)0.00023236726
P35372Mu-type opioid receptor (M-OR-1) (MOR-1) (Mu opiate receptor) (Mu opioid ...G-protein coupled receptor 1 familyP353724988Homo sapiens (Human)0.00022769527
P10275Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ...Nuclear hormone receptor family, NR3 subfamilyP10275367Homo sapiens (Human)0.00022689528
P51449Nuclear receptor ROR-gamma (Nuclear receptor RZR-gamma) (Nuclear receptor subfamily 1 ...Nuclear hormone receptor family, NR1 subfamilyP514496097Homo sapiens (Human)0.00022084929
Q9Y6L6Solute carrier organic anion transporter family member 1B1 (SLCO1B1) (Liver-specific ...Organo anion transporter (TC 2.A.60) familyQ9Y6L610599Homo sapiens (Human)0.00021552330
P14324Farnesyl pyrophosphate synthase (FPP synthase) (FPS) (EC 2.5.1.10) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyP143242224Homo sapiens (Human)0.00021132331
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)0.00020921732
P03372Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ...Nuclear hormone receptor family, NR3 subfamilyP033722099Homo sapiens (Human)0.00020653233
P11511Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ...Cytochrome P450 familyP115111588Homo sapiens (Human)0.00020616234
O43193Motilin receptor (G-protein coupled receptor 38)G-protein coupled receptor 1 familyO431932862Homo sapiens (Human)0.00020205635
P41143Delta-type opioid receptor (D-OR-1) (DOR-1)G-protein coupled receptor 1 familyP411434985Homo sapiens (Human)0.00019712636
Q16637Survival motor neuron protein (Component of gems 1) (Gemin-1)SMN familyQ166376606Homo sapiens (Human)0.00019679337
P34972Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)G-protein coupled receptor 1 familyP349721269Homo sapiens (Human)0.00019499338
P184053-oxo-5-alpha-steroid 4-dehydrogenase 1 (EC 1.3.1.22) (SR type 1) (Steroid 5-alpha-reductase ...Steroid 5-alpha reductase familyP184056715Homo sapiens (Human)0.00018991539
P34913Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ...AB hydrolase superfamily, Epoxide hydrolase familyP349132053Homo sapiens (Human)0.00018285940
Q13255Metabotropic glutamate receptor 1 (mGluR1)G-protein coupled receptor 3 familyQ132552911Homo sapiens (Human)0.00018055341
Q16665Hypoxia-inducible factor 1-alpha (HIF-1-alpha) (HIF1-alpha) (ARNT-interacting protein) (Basic-helix-loop-helix-PAS protein MOP1) ...Q166653091Homo sapiens (Human)0.00017745642
P10828Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ...Nuclear hormone receptor family, NR1 subfamilyP108287068Homo sapiens (Human)0.00017258443
O95749Geranylgeranyl pyrophosphate synthase (GGPP synthase) (GGPPSase) (EC 2.5.1.-) ((2E,6E)-farnesyl diphosphate ...FPP/GGPP synthase familyO957499453Homo sapiens (Human)0.00017091244
P48449Lanosterol synthase (EC 5.4.99.7) (2,3-epoxysqualene--lanosterol cyclase) (Oxidosqualene--lanosterol cyclase) (OSC) (hOSC)Terpene cyclase/mutase familyP484494047Homo sapiens (Human)0.00016884345
O95342Bile salt export pump (EC 7.6.2.-) (ATP-binding cassette sub-family B ...ABC transporter superfamily, ABCB family, Multidrug resistance exporter (TC 3.A.1.201) ...O953428647Homo sapiens (Human)0.00016788546
O00519Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Fatty ...Amidase familyO005192166Homo sapiens (Human)0.00016620947
P00742Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) [Cleaved ...Peptidase S1 familyP007422159Homo sapiens (Human)0.00016277448
Q9UHC9NPC1-like intracellular cholesterol transporter 1 (NPC1L1) (Niemann-Pick C1-like protein 1)Patched familyQ9UHC929881Homo sapiens (Human)0.00015684649
P21554Cannabinoid receptor 1 (CB-R) (CB1) (CANN6)G-protein coupled receptor 1 familyP215541268Homo sapiens (Human)0.00015661450

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
198522025-12-24
09:01:50		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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