US 11,948,662 B2
Metabolite, annotation, and gene integration system and method
Onur Erbilgin, Oakland, CA (US); Benjamin P. Bowen, Walnut Creek, CA (US); Trent R. Northen, Walnut Creek, CA (US); Markus de Raad, Berkeley, CA (US); and Oliver Ruebel, Richmond, CA (US)
Assigned to The Regents of the University of California, Oakland, CA (US)
Filed by The Regents of the University of California, Oakland, CA (US)
Filed on Feb. 16, 2018, as Appl. No. 15/932,459.
Claims priority of provisional application 62/578,956, filed on Oct. 30, 2017.
Claims priority of provisional application 62/460,680, filed on Feb. 17, 2017.
Prior Publication US 2018/0239863 A1, Aug. 23, 2018
Int. Cl. G16H 70/60 (2018.01); G01N 33/00 (2006.01); G06F 16/903 (2019.01); G16B 5/00 (2019.01); G16B 20/00 (2019.01); G16C 20/20 (2019.01)
CPC G16B 20/00 (2019.02) [G01N 33/00 (2013.01); G06F 16/903 (2019.01); G16B 5/00 (2019.02); G16H 70/60 (2018.01); G16C 20/20 (2019.02); Y02A 90/10 (2018.01)] 26 Claims
OG exemplary drawing
 
1. A system for associating metabolites with genes comprising:
a non-transitory memory configured to store executable instructions; and
a hardware processor in communication with the non-transitory memory, the hardware processor programmed by executable instructions to perform:
receiving and storing metabolite spectroscopy data, obtained from a content of an organism, and a genome sequence of the organism, in a database;
identifying a plurality of potential metabolites from the content of the organism in the metabolite spectroscopy data;
determining, for each of the plurality of potential metabolites, one or more first possible reactions related to the potential metabolite;
determining, for each of the first possible reactions, one or more first genes with corresponding gene products involved in the first possible reaction from the genome sequence;
determining, for each of the plurality of potential metabolites, an association score indicating a likelihood that a first gene of the first genes is associated with the potential metabolite;
generating at least one experiment design of a biochemical experiment based on the association score of at least one of the plurality of potential metabolites;
providing the at least one experiment design of the biochemical experiment to one or more laboratory instruments which perform the biochemical experiment to validate the first gene of the first genes is associated with the potential metabolite; and
updating the database with results from the biochemical experiment, the updating comprising supplementing or replacing existing annotations in the database with new reactions and reference sequences to reactions,
wherein determining, for each of the plurality of potential metabolites, one or more first possible reactions related to the potential metabolite comprises:
determining a related metabolite of a potential metabolite of the plurality of potential metabolites; and
determining one or more first possible reactions related to the related metabolite, wherein the one or more first possible reactions related to the related metabolite are one or more first possible reactions related to the potential metabolite.