Job ID(s):

Results

Download as: CSV TSV

CompoundPathway IDDescriptionScoreRank

[1] Untitled

Original SMILES:
C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=CCOC3=O)(C)COC(=O)CCC(=O)O)OC(=O)CCC(=O)O

Prepared SMILES:
O=C(OC[C@]1(C)[C@@H](CC[C@@]2([C@@H]1CCC(=C)[C@H]2/C=C/C1=CCOC1=O)C)OC(=O)CCC(=O)O)CCC(=O)O

hsa04610Complement and coagulation cascades0.0006190121
hsa04510Focal adhesion0.0005228762
hsa03320PPAR signaling pathway0.0004722743
hsa00100Steroid biosynthesis0.0004604074
hsa04915Estrogen signaling pathway0.0004508385
hsa04151PI3K-Akt signaling pathway0.0004453996
hsa04974Protein digestion and absorption0.0004421657
hsa04978Mineral absorption0.0004398148
hsa04640Hematopoietic cell lineage0.0004200869
hsa04612Antigen processing and presentation0.00038943510
hsa04216Ferroptosis0.00035979111
hsa04657IL-17 signaling pathway0.0003192612
hsa04115p53 signaling pathway0.00031366313
hsa04924Renin secretion0.00029990514
hsa04010MAPK signaling pathway0.00028748415
hsa04066HIF-1 signaling pathway0.00026504616
hsa04964Proximal tubule bicarbonate reclamation0.0002644217
hsa04062Chemokine signaling pathway0.000261218
hsa04068FoxO signaling pathway0.00025753819
hsa04520Adherens junction0.0002573420
hsa04218Cellular senescence0.00025623121
hsa04015Rap1 signaling pathway0.00025473822
hsa04670Leukocyte transendothelial migration0.00024625223
hsa04923Regulation of lipolysis in adipocytes0.00024616924
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00024568225
hsa04960Aldosterone-regulated sodium reabsorption0.00024406426
hsa04668TNF signaling pathway0.0002436327
hsa04918Thyroid hormone synthesis0.00023847128
hsa00250Alanine, aspartate and glutamate metabolism0.00023579129
hsa00910Nitrogen metabolism0.00023372130
hsa04972Pancreatic secretion0.00022976431
hsa00980Metabolism of xenobiotics by cytochrome P4500.00022834732
hsa04913Ovarian steroidogenesis0.00022714233
hsa00480Glutathione metabolism0.00022648634
hsa04970Salivary secretion0.00022416735
hsa04310Wnt signaling pathway0.00022194836
hsa00380Tryptophan metabolism0.00021931637
hsa04210Apoptosis0.00021606438
hsa04926Relaxin signaling pathway0.00021586639
hsa00010Glycolysis / Gluconeogenesis0.00021387640
hsa04350TGF-beta signaling pathway0.00021263941
hsa00340Histidine metabolism0.00021178342
hsa00051Fructose and mannose metabolism0.00021139843
hsa04971Gastric acid secretion0.00021085944
hsa04614Renin-angiotensin system0.00020496745
hsa00900Terpenoid backbone biosynthesis0.00020446646
hsa00350Tyrosine metabolism0.00020172847
hsa04979Cholesterol metabolism0.00020098348
hsa04110Cell cycle0.00019851349
hsa04540Gap junction0.00019807950

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
194482025-11-26
11:24:37
PathwaysDPNetInferDrug-pathway association network for pan-cancer (version 2020)MACCS Downloadα = 0.1, β = 0.1, γ = -0.9, k = 2, Top 50Download

Page last updated at 2023-11-29 11:11:44 (Asia/Shanghai) | Unique visitor: 348200 | Page view: 2640467

Copyright © 2019-2023 Laboratory of Molecular Modeling and Design, School of Pharmacy,
East China University of Science and Technology. All rights reserved.