Systems and methods for identifying unknown drug targets via adverse event data

• US 9,218,457 B2
• Filed: 04/13/2012
• Issued: 12/22/2015
• Est. Priority Date: 01/06/2012
• Status: Active Grant

• Current Assignee: Molecular Health GmbH (Molecular Health AG)
• Original Assignee: Molecular Health GmbH (Molecular Health AG)
• Inventors: Jackson, David, Soldatos, Theodoros, Taglang, Guillaume, Zien, Alexander, Brock, Stephan
• Primary Examiner(s): Lau, Tung S
• Assistant Examiner(s): SUN, XIUQIN
• Application Number:
  US13/446,871
• Publication Number:
  US 20130179091A1
• Time in Patent Office: 1,348 Days
• Field of Search: 702/30
• US Class Current: 1/1
• CPC Class Codes: G16B 20/00 ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
• CPC Class Codes: G16B 20/20 Allele or variant detection, e.g. single nucleotide polymorphism [SNP] detection
• CPC Class Codes: G16H 20/10 relating to drugs or medications, e.g. for ensuring correct administration to patients
• CPC Class Codes: G16H 50/20 for computer-aided diagnosis, e.g. based on medical expert systems
• CPC Class Codes: G16H 50/50 for simulation or modelling of medical disorders
• CPC Class Codes: G16H 70/40 relating to drugs, e.g. their side effects or intended usage

Abstract

The present disclosure is directed to systems and methods for identifying unknown drug targets via adverse event data. An analyzer receives an identification of a first drug having one or more unknown target proteins and identifies a second drug related to the first drug. The analyzer retrieves, from an adverse event database, a first side effect profile associated with the first drug, and a second side effect profile associated with the second drug. The analyzer generates a third side effect profile including a subset of the first side effect profile not shared by the second side effect profile, and identifies a third drug having a fourth side effect profile including the third side effect profile. The analyzer retrieves a list of one or more target proteins of the third drug not targeted by the second drug, and presents the retrieved list as potential target proteins of the first drug.

Claims

1. A method for building a molecular entity model comprising unknown drug target interactions identified via adverse event data, comprising:

receiving, by an analyzer module executed by a processor of a computing device from a user, an identification of a first drug having one or more unknown target proteins;

identifying, by the analyzer module from a medication information database stored in a computer-readable storage medium, a second drug related to the first drug;

retrieving, by the analyzer module from an adverse event database representing physiological reactions from interaction of molecular entities with pharmaceutical compounds of drugs stored in the computer-readable storage medium, a first side effect profile associated with the first drug, and a second side effect profile associated with the second drug;

generating, by the analyzer module, a third side effect profile comprising a subset of the first side effect profile not shared by the second side effect profile;

identifying, by the analyzer module from the adverse event database, a third drug having a fourth side effect profile comprising the third side effect profile;

retrieving, by the analyzer module from the medication information database, one or more target proteins of the third drug not targeted by the second drug; and

building, by the analyzer module, a molecular entity model with the retrieved one or more target proteins as potential target proteins of the first drug.

2. The method of claim 1, wherein the second drug is in the same class as the first drug.

3. The method of claim 1, wherein the first drug and second drug are identified as binding to the same target protein.

4. The method of claim 1, wherein each of the first, second, and fourth side effect profiles comprise a statistical index of side effects experienced by consumers of the corresponding first, second, and third drugs.

5. The method of claim 1, wherein generating the third side effect profile comprises subtracting a frequency of occurrence of a side effect in the second side effect profile from a frequency of occurrence of the side effect in the first side effect profile.

6. The method of claim 1, wherein generating the third side effect profile comprises identifying a side effect with a first frequency of occurrence in the first side effect profile and a second frequency of occurrence in the second side effect profile.

7. The method of claim 6, further comprising excluding the identified side effect from the third side effect profile, responsive to the first frequency of occurrence being within a predetermined threshold from the second frequency of occurrence.

8. The method of claim 6, further comprising including the identified side effect in the third side effect profile, responsive the first frequency of occurrence being outside a predetermined threshold from the second frequency of occurrence.

9. The method of claim 1, wherein identifying a third drug having a fourth side effect profile comprises identifying a side effect with a first frequency of occurrence in the third side effect profile and a second frequency of occurrence in the fourth side effect profile, the first frequency of occurrence and second frequency of occurrence being within a predetermined threshold.

10. A system for building a molecular entity model comprising unknown drug target interactions identified via adverse event data, comprising:

a computing device, in communication with a computer-readable storage medium comprising an adverse event database representing physiological reactions from interaction of molecular entities with pharmaceutical compounds of drugs and a medication information database, comprising a display interface and a processor executing an analyzer module configured for;

receiving, from a user, an identification of a first drug having one or more unknown target proteins;

identifying, from the medication information database, a second drug related to the first drug;

retrieving, from the adverse event database, a first side effect profile associated with the first drug, and a second side effect profile associated with the second drug;

generating a third side effect profile comprising a subset of the first side effect profile not shared by the second side effect profile;

identifying, from the adverse event database, a third drug having a fourth side effect profile comprising the third side effect profile;

retrieving, from the medication information database, a list of one or more target proteins of the third drug not targeted by the second drug; and

building a molecular entity model with the retrieved one or more target proteins as potential target proteins of the first drug.

11. The system of claim 10, wherein the second drug is in the same class as the first drug.

12. The system of claim 10, wherein the first drug and second drug are identified as binding to the same target protein.

13. The system of claim 10, wherein each of the first, second, and fourth side effect profiles comprise a statistical index of side effects experienced by consumers of the corresponding first, second, and third drugs.

14. The system of claim 10, wherein the analyzer module is further configured for subtracting a frequency of occurrence of a side effect in the second side effect profile from a frequency of occurrence of the side effect in the first side effect profile.

15. The system of claim 10, wherein the analyzer module is further configured for identifying a side effect with a first frequency of occurrence in the first side effect profile and a second frequency of occurrence in the second side effect profile.

16. The system of claim 15, wherein the analyzer module is further configured for excluding the identified side effect from the third side effect profile, responsive to the first frequency of occurrence being within a predetermined threshold from the second frequency of occurrence.

17. The system of claim 15, wherein the analyzer module is further configured for including the identified side effect in the third side effect profile, responsive the first frequency of occurrence being outside a predetermined threshold from the second frequency of occurrence.

18. The system of claim 10, wherein the analyzer module is further configured for identifying a side effect with a first frequency of occurrence in the third side effect profile and a second frequency of occurrence in the fourth side effect profile, the first frequency of occurrence and second frequency of occurrence being within a predetermined threshold.