Title:
DEVICE FOR PREDICTING DRUG-TARGET INTERACTION BY USING SELF-ATTENTION-BASED DEEP NEURAL NETWORK MODEL, AND METHOD THEREFOR
Document Type and Number:
WIPO Patent Application WO/2022/163996
Kind Code:
A1
Abstract:
The present invention relates to drug-target protein interaction prediction using deep learning, and a device and a method for predicting a drug-target interaction (DTI), according to the present invention, train a transformer network by using the interaction between a drug and a protein, and the binding region of the drug and the protein, and predict a DTI and the binding region by using the transformer network using an attention score, and thus DTI prediction performance can be increased.
Inventors:
NAM HO JUNG (KR)
LEE IN GOO (KR)
LEE IN GOO (KR)
Application Number:
PCT/KR2021/017765
Publication Date:
August 04, 2022
Filing Date:
November 29, 2021
Export Citation:
Assignee:
GWANGJU INST SCIENCE & TECH (KR)
International Classes:
G16C20/30; G06N3/08; G06N20/00; G16B35/00; G16C20/50; G16C20/60; G16C20/70
Foreign References:
| KR20200017653A | 2020-02-19 |
Other References:
INGOO LEE; JONGSOO KEUM; HOJUNG NAM: "DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences", ARXIV.ORG, CORNELL UNIVERSITY LIBRARY, 201 OLIN LIBRARY CORNELL UNIVERSITY ITHACA, NY 14853, 6 November 2018 (2018-11-06), 201 Olin Library Cornell University Ithaca, NY 14853 , XP081486677, DOI: 10.1371/journal.pcbi.1007129
CHEN LIFAN, TAN XIAOQIN, WANG DINGYAN, ZHONG FEISHENG, LIU XIAOHONG, YANG TIANBIAO, LUO XIAOMIN, CHEN KAIXIAN, JIANG HUALIANG, ZHE: "TransformerCPI: improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments", BIOINFORMATICS, OXFORD UNIVERSITY PRESS , SURREY, GB, vol. 36, no. 16, 15 August 2020 (2020-08-15), GB , pages 4406 - 4414, XP055941575, ISSN: 1367-4803, DOI: 10.1093/bioinformatics/btaa524
JI YANRONG, MISHRA RAMA K., DAVULURI RAMANA V.: "In silico analysis of alternative splicing on drug-target gene interactions", SCIENTIFIC REPORTS, vol. 10, no. 134, 10 January 2020 (2020-01-10), pages 1 - 3, XP055954450, DOI: 10.1038/s41598-019-56894-x
KEXIN HUANG; CAO XIAO; LUCAS GLASS; JIMENG SUN: "MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction", ARXIV.ORG, CORNELL UNIVERSITY LIBRARY, 201 OLIN LIBRARY CORNELL UNIVERSITY ITHACA, NY 14853, 23 April 2020 (2020-04-23), 201 Olin Library Cornell University Ithaca, NY 14853 , XP081652177
CHEN LIFAN, TAN XIAOQIN, WANG DINGYAN, ZHONG FEISHENG, LIU XIAOHONG, YANG TIANBIAO, LUO XIAOMIN, CHEN KAIXIAN, JIANG HUALIANG, ZHE: "TransformerCPI: improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments", BIOINFORMATICS, OXFORD UNIVERSITY PRESS , SURREY, GB, vol. 36, no. 16, 15 August 2020 (2020-08-15), GB , pages 4406 - 4414, XP055941575, ISSN: 1367-4803, DOI: 10.1093/bioinformatics/btaa524
JI YANRONG, MISHRA RAMA K., DAVULURI RAMANA V.: "In silico analysis of alternative splicing on drug-target gene interactions", SCIENTIFIC REPORTS, vol. 10, no. 134, 10 January 2020 (2020-01-10), pages 1 - 3, XP055954450, DOI: 10.1038/s41598-019-56894-x
KEXIN HUANG; CAO XIAO; LUCAS GLASS; JIMENG SUN: "MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction", ARXIV.ORG, CORNELL UNIVERSITY LIBRARY, 201 OLIN LIBRARY CORNELL UNIVERSITY ITHACA, NY 14853, 23 April 2020 (2020-04-23), 201 Olin Library Cornell University Ithaca, NY 14853 , XP081652177
Attorney, Agent or Firm:
ERUUM & LEEON INTELLECTUAL PROPERTY LAW FIRM (KR)
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