Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.41 |
| ▸ | PGK2 | P07205 | 1/20 | 0.41 |
| ▸ | TPI1 | P60174 | 2/20 | 0.38 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.38 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.38 |
| ▸ | PGD | P52209 | 3/20 | 0.35 |
| ▸ | MPI | P34949 | 1/20 | 0.35 |
| ▸ | LPAR6 | P43657 | 1/20 | 0.30 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.30 |
| ▸ | LPAR4 | Q99677 | 1/20 | 0.30 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.30 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8847394 | 0.76 | PGK1 (0.47) | PGK1PGK2TPI1PGDMPI | |
| SCHEMBL8984258 | 0.76 | PGK1 (0.47) | PGK1PGK2TPI1PGDMPI | |
| SCHEMBL8984257 | 0.76 | PGK1 (0.47) | PGK1PGK2TPI1PGDMPI | |
| Phosphoric Acid SCHEMBL437887 | 0.75 | CYP2C9 (0.30) | — | |
| SCHEMBL157689 | 0.73 | TPI1 (0.48) | PGK1PGK2TPI1PGDMPI | |
| SCHEMBL6125457 | 0.70 | PGK1 (0.55) | PGK1PGK2LPAR2LPAR3PGD | |
| SCHEMBL5502380 | 0.69 | MPI (0.55) | PGK1PGK2LPAR2LPAR3PGD | |
| SCHEMBL4083999 | 0.69 | MPI (0.55) | PGK1PGK2LPAR2LPAR3PGD | |
| SCHEMBL4557488 | 0.69 | — | — | |
| SCHEMBL17923950 | 0.68 | MPI (0.44) | PGK1PGK2LPAR2LPAR3PGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140309186-A1 | Metabolomics-Based Identification of Disease-Causing Agents | GEORGIA TECH RESEARCH CORPORATION | 2014-10-16 | — | — | US | disclosed |
| US-20110246081-A1 | Metabolomics-Based Identification of Disease-Causing Agents | GEORGIA TECH RESEARCH CORPORATION (US) | 2011-10-06 | — | — | US | disclosed |
| WO-2009052186-A1 | METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS | GEORGIA TECH RESEARCH CORPORATION (US) | 2009-04-23 | — | — | WO | disclosed |