The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.

The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.

Date of Patent:
Feb. 09, 2021

Filed:

Jun. 03, 2016
Applicant:

Georgetown University, Washington, DC (US);

Inventors:

Sivanesan Dakshanamurthy, Herndon, VA (US);

Stephen W. Byers, Takoma Park, MD (US);

Assignee:

GEORGETOWN UNIVERSITY, Washington, DC (US);

Attorney:
Primary Examiner:
Assistant Examiner:
Int. Cl.
CPC ...
G16B 15/00 (2019.01); G16B 15/30 (2019.01); G06F 5/01 (2006.01); G06F 17/11 (2006.01); G06F 111/10 (2020.01);
U.S. Cl.
CPC ...
G16B 15/00 (2019.02); G06F 5/01 (2013.01); G06F 17/11 (2013.01); G16B 15/30 (2019.02); G06F 2111/10 (2020.01);
Abstract

Described herein are methods of predicting drug-target interactions and methods of using the information for drug repurposing. The methods described herein combine different descriptors, including, for example, atom pair similarity, shape, topology and chemical signatures, physico-chemical functional descriptors, contact points of the ligand and the target protein, chemical similarity, and docking score.


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