Job ID(s):

Results

Download as: CSV TSV

CompoundPathway IDDescriptionScoreRank

[1] Untitled

Original SMILES:
C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

Prepared SMILES:
Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br

hsa04610Complement and coagulation cascades0.0006333081
hsa04510Focal adhesion0.0005433992
hsa03320PPAR signaling pathway0.0004926433
hsa04915Estrogen signaling pathway0.0004642694
hsa00100Steroid biosynthesis0.0004593465
hsa04151PI3K-Akt signaling pathway0.0004518736
hsa04974Protein digestion and absorption0.000447887
hsa04978Mineral absorption0.0004357488
hsa04640Hematopoietic cell lineage0.0004276879
hsa04612Antigen processing and presentation0.00037552310
hsa04216Ferroptosis0.00036060311
hsa04115p53 signaling pathway0.00032262512
hsa04924Renin secretion0.00032078613
hsa04657IL-17 signaling pathway0.00031308114
hsa04010MAPK signaling pathway0.00029361915
hsa04670Leukocyte transendothelial migration0.00028580416
hsa04066HIF-1 signaling pathway0.00026503217
hsa04964Proximal tubule bicarbonate reclamation0.0002640518
hsa04062Chemokine signaling pathway0.00026393219
hsa04015Rap1 signaling pathway0.00026325120
hsa00980Metabolism of xenobiotics by cytochrome P4500.00026072821
hsa04218Cellular senescence0.00025699222
hsa04918Thyroid hormone synthesis0.00025291123
hsa04961Endocrine and other factor-regulated calcium reabsorption0.00024888124
hsa04068FoxO signaling pathway0.00024443625
hsa04668TNF signaling pathway0.00024315926
hsa04972Pancreatic secretion0.0002416327
hsa00010Glycolysis / Gluconeogenesis0.00023659228
hsa00480Glutathione metabolism0.00023455529
hsa00900Terpenoid backbone biosynthesis0.00023389230
hsa04960Aldosterone-regulated sodium reabsorption0.00023381231
hsa04923Regulation of lipolysis in adipocytes0.00023303232
hsa00051Fructose and mannose metabolism0.00023154933
hsa00910Nitrogen metabolism0.00022954534
hsa04520Adherens junction0.00022886435
hsa04913Ovarian steroidogenesis0.00022751436
hsa00380Tryptophan metabolism0.00022676737
hsa00250Alanine, aspartate and glutamate metabolism0.00022547138
hsa04971Gastric acid secretion0.00022351339
hsa04210Apoptosis0.00022259940
hsa00340Histidine metabolism0.00022038441
hsa04970Salivary secretion0.00021529342
hsa04350TGF-beta signaling pathway0.00021387843
hsa04310Wnt signaling pathway0.0002130544
hsa04926Relaxin signaling pathway0.00020719845
hsa04540Gap junction0.00019870846
hsa04928Parathyroid hormone synthesis, secretion and action0.00019794447
hsa04110Cell cycle0.00019559448
hsa04611Platelet activation0.00019460649
hsa04979Cholesterol metabolism0.00019310350

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
233602026-06-26
15:30:44
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: 510816 | Page view: 3088418

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