Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.39 |
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | PGK2 | P07205 | 1/20 | 0.35 |
| ▸ | LAP3 | P28838 | 2/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
| ▸ | PGD | P52209 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | GLUL | P15104 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL850646 | 1.00 | USP2 (0.39) | USP2SLCO1B1PGK1PGK2LAP3 | |
| SCHEMBL28881933 | 1.00 | USP2 (0.39) | USP2SLCO1B1PGK1PGK2LAP3 | |
| Water SCHEMBL9195067 | 0.79 | GABRR1 (0.35) | PGK1PGK2LAP3SLC1A1SLC1A3 | |
| SCHEMBL2311230 | 0.78 | GSR (0.40) | PTPN1 | |
| SCHEMBL891729 | 0.78 | PGD (0.47) | PGK1PGK2LAP3PGDPTPN1 | |
| SCHEMBL4321620 | 0.72 | LAP3 (0.42) | USP2SLCO1B1PGK1PGK2LAP3 | |
| SCHEMBL8854308 | 0.72 | PTPN1 (0.41) | PGK1PGK2PGDPTPN1 | |
| SCHEMBL6350847 | 0.72 | PTPN1 (0.37) | PTPN1 | |
| Phosphoric Acid SCHEMBL1758764 | 0.71 | SLC7A5 (0.46) | USP2SLCO1B1LAP3SLC7A5 | |
| SCHEMBL6011029 | 0.71 | SLC7A5 (0.36) | PGK1PGK2LAP3SLC1A1SLC1A3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011034263-A1 | METHOD FOR PREDICTING A DRUG TARGET IN PATHOGENIC MICROORGANISMS USING AN ESSENTIAL METABOLITE | 한국과학기술원 (KR) | 2011-03-24 | — | — | WO | claimed |
| WO-2011034397-A2 | METHOD FOR PREDICTING DRUG TARGETS AND SCREENING FOR DRUGS FOR PATHOGENIC MICROORGANISMS USING ESSENTIAL METABOLITES | 한국과학기술원 (KR) | 2011-03-24 | — | — | WO | claimed |
| EP-2463654-B1 | Compositions and methods for modeling saccharomyces cerevisiae metabolism | UNIV CALIFORNIA (US) | 2020-06-03 | — | — | EP | disclosed |
| US-20140309186-A1 | Metabolomics-Based Identification of Disease-Causing Agents | GEORGIA TECH RESEARCH CORPORATION | 2014-10-16 | — | — | US | disclosed |
| EP-2463654-A1 | Compositions and methods for modeling saccharomyces cerevisiae metabolism | The Regents of The University of California (US) | 2012-06-13 | — | — | EP | disclosed |
| US-8170852-B2 | Data structures and methods for modeling Saccharomyces cerevisiae metabolism | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-05-01 | — | — | US | disclosed |
| EP-2434421-A2 | Compositions and methods for modeling saccharomyces cerevisiae metabolism | The Regents of The University of California (US) | 2012-03-28 | — | — | EP | disclosed |
| US-20110246081-A1 | Metabolomics-Based Identification of Disease-Causing Agents | GEORGIA TECH RESEARCH CORPORATION (US) | 2011-10-06 | — | — | US | disclosed |
| WO-2011034263-A1 | METHOD FOR PREDICTING A DRUG TARGET IN PATHOGENIC MICROORGANISMS USING AN ESSENTIAL METABOLITE | 한국과학기술원 (KR) | 2011-03-24 | — | — | WO | disclosed |
| WO-2011034397-A2 | METHOD FOR PREDICTING DRUG TARGETS AND SCREENING FOR DRUGS FOR PATHOGENIC MICROORGANISMS USING ESSENTIAL METABOLITES | 한국과학기술원 (KR) | 2011-03-24 | — | — | WO | disclosed |
| US-7869957-B2 | Methods and systems to identify operational reaction pathways | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-01-11 | — | — | US | disclosed |
| US-20100280803-A1 | Compositions and Methods for Modeling Saccharomyces cerevisiae Metabolism | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2010-11-04 | — | — | US | disclosed |
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |
| US-7751981-B2 | Articles of manufacture and methods for modeling Saccharomyces cerevisiae metabolism | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-07-06 | — | — | US | disclosed |
| WO-2009052186-A1 | METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS | GEORGIA TECH RESEARCH CORPORATION (US) | 2009-04-23 | — | — | WO | disclosed |
| EP-1438580-A4 | COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM | UNIV CALIFORNIA (US) | 2007-11-14 | — | — | EP | disclosed |
| EP-1438580-A1 | COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2004-07-21 | — | — | EP | disclosed |
| WO-2003036296-A1 | COMPOSITIONS AND METHODS FOR MODELING SACCHAROMYCES CEREVISIAE METABOLISM | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2003-05-01 | — | — | WO | disclosed |