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
Salzamtsgasse 7
8010 Graz, AT
Inventors
TRUMMER, Christopher
Untere TeichstraBe 18
8010 Graz, AT
RAO, Arjun
Eggenberger Allee 31/45
8020 Graz, AT
ORASCH, Oliver
Eggenberger Allee 89/12
8020 Graz, AT
FLECK, Markus
NuBbaumerstraBe 18/10
8042 Graz, AT
FOOLADI, Hosein
No 16. Javanmard street,
Navvab Highway,
Tehran, IR
WEBER, Noah
SeilerstStte 2/508
1010 Wien, AT
Priority Data
A138/2021
12.08.2021
AT
Application details
| Total Number of Claims/PCT | * |
| Number of Independent Claims | * |
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| Number of Multi-Dependent Claims | * |
| Number of Drawings | * |
| Pages for Publication | * |
| Number of Pages with Drawings | * |
| Pages of Specification | * |
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International Searching Authority |
EPO
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| Applicant's Legal Status |
Legal Entity
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| Entry into National Phase under |
Chapter I
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| Translation |
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Recalculate
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Quotation for National Phase entry
| Country | Stages | Total | |
|---|---|---|---|
| China | Filing | 972 | |
| EPO | Filing, Examination | 4591 | |
| Japan | Filing | 589 | |
| South Korea | Filing | 575 | |
| USA | Filing, Examination | 2710 |
Total: 9437 USD
The term for entry into the National Phase has expired. This quotation is for informational purposes only
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).