# US 11,908,551 B2 · System and method for identifying potential targets for pharmaceutical compound > Agents: this data is available as JSON from the patentgrep API and MCP server — see https://patentgrep.com/llms.txt - Number: US 11,908,551 B2 - Document ID: US11908551B2 - Status: Granted - Kind: B2 - Application number: 16/366,142 - Filed: 2019-03-27 - Published: 2020-03-19 - Granted: 2024-02-20 - Earliest claimed: 2018-03-27 - Assignees: Innoplexus AG - Applicants: Innoplexus AG - Inventors: Gaurav Tripathi; Om Sharma; Vatsal Agarwal; Anurag Chandrekar - Web page: https://patentgrep.com/patent/US11908551B2 ## CPC - G16B 20/20: Allele or variant detection, e.g. single nucleotide polymorphism [SNP] detection - G16C 20/50: Molecular design, e.g. of drugs - G16B 5/00: ICT specially adapted for modelling or simulations in systems biology, e.g. gene-regulatory networks, protein interaction networks or metabolic networks - G16B 40/00: ICT specially adapted for biostatistics; ICT specially adapted for bioinformatics-related machine learning or data mining, e.g. knowledge discovery or pattern finding - G16B 50/30: Data warehousing; Computing architectures - G16C 20/30: Prediction of properties of chemical compounds, compositions or mixtures - G16C 20/60: In silico combinatorial chemistry - G16C 20/70: Machine learning, data mining or chemometrics - G16C 20/90: Programming languages; Computing architectures; Database systems; Data warehousing - G16B 15/30: Drug targeting using structural data; Docking or binding prediction - G16B: BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY - G16C: COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE ## Abstract A system and method for identifying potential targets for a pharmaceutical compound. The system includes a database arrangement operable to store existing data sources and information related to the pharmaceutical compound; and a processing module communicably coupled to database arrangement. The processing module is operable to receive information related to the pharmaceutical compound, wherein the information includes at least one known target associated with the pharmaceutical compound; extract plurality of targets from existing data sources, wherein the existing data sources comprise plurality of data records and wherein each of the plurality of targets is associated with the pharmaceutical compound in at least one data record; analyse druggability of each of plurality of targets to determine a preliminary set of targets; determine net score for each of the targets in preliminary set of targets; and designate targets with a net score above a predefined threshold, as potential targets. ## Claims ### Claim 1 A system that identifies potential targets for a pharmaceutical compound, wherein the system includes a computer system, wherein the system comprises: a database arrangement operable to store existing data sources and information related to the pharmaceutical compound; and a processing module communicably coupled to the database arrangement, the processing module operable to: receive information related to the pharmaceutical compound, wherein the information comprises at least one known target associated with the pharmaceutical compound; extract plurality of targets from existing data sources, wherein the existing data sources comprises plurality of data records and wherein each of the plurality of targets is associated with the same pharmaceutical compound in each of the plurality of data records; analyse druggability of each of the plurality of targets to determine a preliminary set of targets; determine a net score for each of the targets in the preliminary set of targets; and identify targets with the net score above a predefined threshold, as the potential targets, wherein the potential targets correspond to unidentified sites of action for the pharmaceutical compound. ### Claim 2 (depends on 1) The system of claim 1, wherein the processing module is operable to determine the net score for a target in the preliminary set of targets, based on: a genetic association score, wherein the genetic association score comprises likelihood of mutation in the target; a gene expression score, wherein the gene expression score is based on number of available gene expression studies related to the target; a somatic association score, wherein the somatic association score comprises likelihood of somatic mutations in the target; a pathway score, wherein the pathway score is based on a number of pathways related to the target; and a gene ontology score, wherein the gene ontology score is based on number of available gene ontologies related to the target. ### Claim 3 (depends on 2) The system of claim 2, wherein the net score for the target is further based on number of data-records associated with the target in the existing data sources. ### Claim 4 (depends on 1) The system of claim 1, wherein the processing module is further operable to arrange the identified potential targets in a hypergeometric distribution based on the pharmaceutical compound. ### Claim 5 (depends on 1) The system of claim 1, wherein the extraction of the plurality of targets from the existing data sources further comprises: identification of targets of other pharmaceutical compounds similar to the pharmaceutical compound; and identification of targets similar to the at least one known target. ### Claim 6 A method of identifying potential targets for a pharmaceutical compound, wherein the method includes using a computer system, wherein the method comprises: specifying the pharmaceutical compound, wherein the pharmaceutical compound is associated with at least one known target; extracting plurality of targets from existing data sources, wherein the existing data sources comprises plurality of data records and wherein each of the plurality of targets is associated with the same pharmaceutical compound in each of the plurality of data records; analysing druggability of each of the plurality of targets to determine a preliminary set of targets; determining a net score for each of the targets in the preliminary set of targets; and identifying targets with the net score above a predefined threshold, as the potential targets, wherein the potential targets correspond to unidentified sites of action for the pharmaceutical compound. ### Claim 7 (depends on 6) The method of claim 6, wherein the method comprises determining the net score for a target in the preliminary set of targets, based on: a genetic association score, wherein the genetic association score comprises likelihood of mutation in the target; a gene expression score, wherein the gene expression score is based on number of available gene expression studies related to the target; a somatic association score, wherein the somatic association score comprises likelihood of somatic mutations in the target; a pathway score, wherein the pathway score is based on a number of pathways related to the target; and a gene ontology score, wherein the gene ontology score is based on number of available gene ontologies related to the target. ### Claim 8 (depends on 7) The method of claim 7, wherein the net score for the target is further based on number of data-records associated with the target in the existing data sources. ### Claim 9 (depends on 6) The method of claim 6, wherein the method further comprises arranging the identified potential targets in a hypergeometric distribution based on the specified pharmaceutical compound. ### Claim 10 (depends on 6) The method of claim 6, wherein extracting the plurality of targets from existing data sources further comprises: identifying targets of other pharmaceutical compounds similar to the specified pharmaceutical compound; and identifying targets similar to the at least one known target. ### Claim 11 A non-transitory computer readable medium, containing program instructions for execution on a computer system, which when executed by a computer, cause the computer to perform method steps for method of identifying potential targets for a pharmaceutical compound, the method comprising the steps of: specifying the pharmaceutical compound, wherein the pharmaceutical compound is associated with at least one known target; extracting plurality of targets from existing data sources, wherein the existing data sources comprises plurality of data records and wherein each of the plurality of targets is associated with the same pharmaceutical compound in each of the plurality of data records; analysing druggability of each of the plurality of targets to determine a preliminary set of targets; determining a net score for each of the targets in the preliminary set of targets; and identifying targets with the net score above a predefined threshold, as the potential targets, wherein the potential targets correspond to unidentified sites of action for the pharmaceutical compound.