Methods for drug repurposing and devices thereof

Patent metadata

Field	Value
Publication number	US-10140341-B2
Application number	US-201514612642-A
Country	US
Kind code	B2
Filing date	Feb 3, 2015
Priority date	Feb 13, 2014
Publication date	Nov 27, 2018
Grant date	Nov 27, 2018

Abstract

The present invention provides a method and system for drug repurposing. In accordance with a disclosed embodiment, the method may include selecting a set of positive drugs for an indication and listing a set of pathways for the set of positive drugs and a set of negative drugs. Further, the method shall include associating a pathway for each drug with an index value, based on an action of the each drug on the pathway. A pathway weight shall be calculated from the index value of the each pathway based on a frequency of occurrence of the each pathway in the set of positive drugs and in the set of negative drugs. A drug score for a drug to be repurposed shall be identified from the negative set of drugs, based on the pathway weight. The drug with a relatively high drug score can be repurposed for the indication.

First claim

What is claimed is:

1. A method for drug repurposing, the method comprising:
selecting, by a drug repurposing computing device, a set of positive drugs for an indication;
listing, by the drug repurposing computing device, a set of pathways for the set of positive drugs and a set of negative drugs;
determining, by the drug repurposing computing device, when an action is associated with each of the set of positive drugs and the set of negative drugs acting on each of the pathways;
associating, by the drug repurposing computing device, each of the pathways for each of the set of positive drugs and the set of negative drugs with a first index value of a plurality of index values, when the determination indicates that an action is associated with each of the set of positive drugs and the set of negative drugs on each of the pathways;
calculating, by the drug repurposing computing device, a pathway weight for each of the pathways based at least on the first index value of the plurality of index values and on a frequency of occurrence of the each pathway in the set of positive drugs and in the set of negative drugs;
identifying, by the drug repurposing computing device, a drug score for a drug from the negative set of drugs, based on the pathway weight;
associating, by the drug repurposing computing device, each of the pathways for of the set of positive drugs and the set of negative drugs with a second index value of the plurality of index values, when the determination indicates that an action is not associated with each of the set of positive drugs and the set of negative drugs on each of the pathways;
calculating, by the drug repurposing computing device, the pathway weight for each of the pathways based at least on the first index value and the second index value of the plurality of index values and on a frequency of occurrence of the each pathway in the set of positive drugs and in the set of negative drugs;
calculating, by the drug repurposing computing device, a probability score of the drug as a ratio of the drug score and a summation of a set of pathway weights, whereby each pathway weight is a positive value; and
repurposing, by the drug repurposing computing device, a drug for the indication, based on the probability score of the drug.

2. The method of claim 1 , further comprising:
refining of the repurposed drug, based on a predetermined set of criteria.

3. The method of claim 2 , wherein the first index value is set to one, and the second index value is set to zero.

4. The method of claim 3 , wherein the drug score of the each drug is a summation of a product of the pathway weight with the index value of the each pathway.

5. The method of claim 1 , wherein the set of negative drugs is a complementary set of the set of positive drugs from a universal set of drugs.

6. The method of claim 1 , wherein the set of positive drugs include a plurality of drugs for curing the indication.

7. The method of claim 2 , wherein the predetermined set of criteria comprises a physiochemical property of the drug, a side effect of the drug, and a QT interval.

8. A drug repurposing computing device, comprising a processor and a memory coupled to the processor which is configured to be capable of executing programmed instructions comprising and stored in the memory to:
select a set of positive drugs for an indication;
list a set of pathways for the set of positive drugs and a set of negative drugs;
determine when an action is associated with each of the set of positive drugs and the set of negative drugs acting on each of the pathways;
associate each of the pathways for each of the set of positive drugs and the set of negative drugs with a first index value of a plurality of index values, when the determination indicates that an action is associated with each of the set of positive drugs and the set of negative drugs on each of the pathways;
calculate a pathway weight for each of the pathways based at least on the first index value of the plurality of index values and on a frequency of occurrence of the each pathway in the set of positive drugs and in the set of negative drugs; and
identify a drug score for a drug from the negative set of drugs, based on the pathway weight;
associate each of the pathways for of the set of positive drugs and the set of negative drugs with a second index value of the plurality of index values, when the determination indicates that an action is not associated with each of the set of positive drugs and the set of negative drugs on each of the pathways;
calculate the pathway weight for each of the pathways based at least on the first index value and the second index value of the plurality of index values and on a frequency of occurrence of the each pathway in the set of positive drugs and in the set of negative drugs;
calculate a probability score of the drug as a ratio of the drug score and a summation of a set of pathway weights, whereby each pathway weight is a positive value; and
repurpose a drug for the indication, based on the probability score of the drug.

9. The device of claim 8 , wherein the processor coupled to the memory is further configured to be capable of executing at least one additional programmed instruction comprising and stored in the memory to refine the repurposed drug, based on a predetermined set of criteria.

10. The device of claim 9 , wherein the first index value is set to one, and the second index value is set to zero.

11. The device of claim 10 , wherein the drug score of the each drug is a summation of a product of the pathway weight with the index value of the each pathway.

12. The device of claim 8 , wherein the set of negative drugs is a complementary set of the set of positive drugs from a universal set of drugs.

13. The device of claim 8 , wherein the set of positive drugs include a plurality of drugs for curing the indication.

14. The device of claim 9 , wherein the predetermined set of criteria comprises a physiochemical property of the drug, a side effect of the drug, and a QT interval.

15. A non-transitory computer readable medium having stored thereon instructions for repurposing a drug comprising executable code which when executed by a processor, causes the processor to perform steps comprising:
selecting a set of positive drugs for an indication;
listing a set of pathways for the set of positive drugs and a set of negative drugs;
determining when an action is associated with each of the set of positive drugs and the set of negative drugs acting on each of the pathways;
associating each of the pathways for each of the set of positive drugs and the set of negative drugs with a first index value of a plurality of index values, when the determination indicates that an action is associated with each of the set of positive drugs and the set of negative drugs on each of the pathways;
calculating a pathway weight for each of the pathways based at least on the first index value of the plurality of index values and on a frequency of occurrence of the each pathway in the set of positive drugs and in the set of negative drugs;
identifying a drug score for a drug from the negative set of drugs, based on the pathway weight;
associating each of the pathways for of the set of positive drugs and the set of negative drugs with a second index value of the plurality of index values, when the determination indicates that an action is not associated with each of the set of positive drugs and the set of negative drugs on each of the pathways;
calculating the pathway weight for each of the pathways based at least on the first index value and the second inde

Assignees

• Infosys Ltd

Inventors

• Bundela Saurabh
• Boloor Krutin Kumar
• Durgad Pooja
• Patrao Rajesh Lawrence
• Pn Deepak

Classifications

• G06F17/3053 Primary

  Physics · mapped topic

• G06F19/70

  Physics · mapped topic

• G16C20/50 Primary

  Molecular design, e.g. of drugs · CPC title

• G16C99/00

  Subject matter not provided for in other groups of this subclass · CPC title

• G06F16/24578 Primary

  using ranking · CPC title