METHODS AND SYSTEMS FOR IDENTIFYING LIGAND-PROTEIN BINDING SITES

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United States of America Patent

APP PUB NO 20170316147A1
SERIAL NO

15520568

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Abstract

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The invention provides a novel integrated structure and system-based approach for drug target prediction that enables the large-scale discovery of new targets for existing drugs Novel computer-readable storage media and computer systems are also provided. Methods and systems of the invention use novel sequence order-independent structure alignment, hierarchical clustering, and probabilistic sequence similarity techniques to construct a probabilistic pocket ensemble (PPE) that captures even promiscuous structural features of different binding sites for a drug on known targets. The drug's PPE is combined with an approximation of the drug delivery profile to facilitate large-scale prediction of novel drug-protein interactions with several applications to biological research and drug development.

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Patent Owner(s)

Patent OwnerAddress
KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY4700 KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY THUWAL 23955-6900

International Classification(s)

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  • 2015 Application Filing Year
  • G01N Class
  • 11310 Applications Filed
  • 8345 Patents Issued To-Date
  • 73.79 % Issued To-Date

Inventor(s)

Inventor Name Address # of filed Patents Total Citations
Gao, Xin Thuwal, SA 126 437
Naveed, Hammad Chicago, US 1 1

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  • 1 Citation Count
  • G01N Class
  • 33.94 % this patent is cited more than
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Citation count rangeNumber of patents cited in rangeNumber of patents cited in various citation count ranges234338094321455621133525105901 - 1011 - 2021 - 3031 - 4041 - 5051 - 6061 - 7071 - 8081 - 9091 - 100100 +02505007501000125015001750200022502500275030003250350037504000

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