Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 7/20 | 0.45 |
| ▸ | CPA1 | P15085 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.44 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | CPA3 | P15088 | 1/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.42 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9472889 | 0.77 | CYP2C19 (0.55) | PDPK1CYP2C19GABBR2GABBR1CYSLTR2 | |
| SCHEMBL6467489 | 0.76 | CYP2C19 (0.46) | EPHX1CPA1CYP2C19GABBR2GABBR1 | |
| SCHEMBL27862584 | 0.76 | PPARG (0.48) | CPA1CYP2C19CPB1CPA3CPB2 | |
| SCHEMBL7540831 | 0.76 | CYP2C19 (0.63) | CPA1CYP2C19CPB1CPA3CPB2 | |
| SCHEMBL9457041 | 0.76 | SLC6A4 (0.42) | EPHX1 | |
| SCHEMBL9108455 | 0.76 | GABBR2 (0.53) | PDPK1CPA1CYP2C19GABBR2GABBR1 | |
| Hydrochloric Acid SCHEMBL6467921 | 0.75 | IDO1 (0.45) | EPHX1CPA1CYP2C19GABBR2GABBR1 | |
| SCHEMBL22362031 | 0.74 | ITGB3 (0.51) | GABBR2GABBR1 | |
| SCHEMBL28065856 | 0.74 | EPHX1 (0.59) | EPHX1CYP2C19PPARGPPARA | |
| SCHEMBL9073611 | 0.74 | ITGB3 (0.51) | GABBR2GABBR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009080722-A2 | CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2009-07-02 | — | — | WO | disclosed |