WO2023016621 - TERNARY COMPLEX DETERMINATION FOR PLAUSIBLE TARGETED PROTEIN DEGRADATION USING DEEP LEARNING AND DESIGN OF DEGRADER MOLECULES USING DEEP LEARNING

National phase entry is expected:
Publication Number WO/2023/016621
Publication Date 16.02.2023
International Application No. PCT/EP2021/025372
International Filing Date 29.09.2021
Title **
[English] TERNARY COMPLEX DETERMINATION FOR PLAUSIBLE TARGETED PROTEIN DEGRADATION USING DEEP LEARNING AND DESIGN OF DEGRADER MOLECULES USING DEEP LEARNING
[French] DÉTERMINATION DE COMPLEXE TERNAIRE CONCERNANT LA DÉGRADATION DE PROTÉINES CIBLÉES PLAUSIBLES À L'AIDE D'UN APPRENTISSAGE PROFOND ET DE LA CONCEPTION DE MOLÉCULES DE DÉGRADATION À L'AIDE D'UN APPRENTISSAGE PROFOND
Applicants **
CELERIS THERAPEUTICS GMBH
Inventors
TRUMMER, Christopher
RAO, Arjun
ORASCH, Oliver
FLECK, Markus
FOOLADI, Hosein
WEBER, Noah
Priority Data
A138/2021   12.08.2021   AT
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Quotation for National Phase entry

Country StagesTotal
China Filing, Examination, Granting1879
EPO Filing, Examination, Granting8149
Japan Filing, Examination, Granting1983
South Korea Filing, Examination, Granting1680
USA Filing, Examination, Granting4740
MasterCard Visa
Total: 18,431

The term for entry into the National Phase has expired. This quotation is for informational purposes only

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Abstract[English] The invention is related to a computer implemented, machine learning based method for determining ternary complexes in targeted protein degradation, by representing biomolecules as graphs and then feeding these graphs as inputs into a machine learning system comprising steps of - determination of the 3D structure of relevant proteins (1) determination of the interactions between each fragment of the degrader and the cor-responding proteins as well as identification of the corresponding interaction (2) Protein-Protein complex prediction (3) Refinement of the ternary complex, with the designed linker (4).[French] L'invention concerne un procédé mis en œuvre par ordinateur et basé sur l'apprentissage automatique permettant de déterminer des complexes ternaires dans la dégradation de protéines ciblées, par représentation de biomolécules en tant que graphiques, puis par fourniture de ces graphiques en tant qu'entrées dans un système d'apprentissage automatique comprenant des étapes de détermination de la structure 3D de protéines pertinentes (1) détermination des interactions entre chaque fragment de l'agent de dégradation et les protéines correspondantes ainsi que l'identification de l'interaction correspondante (2) prédiction de complexe protéine-protéine (3) affinement du complexe ternaire, à l'aide du lieur conçu (4).

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