Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.56 |
| ▸ | PPARG | P37231 | 2/20 | 0.56 |
| ▸ | PPARA | Q07869 | 1/20 | 0.56 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.54 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.54 |
| ▸ | ITGAL | P20701 | 2/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9830755 | 0.97 | CA1 (0.62) | CA1CA2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL19781423 | 0.90 | PPARG (0.58) | CA1CA2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9830757 | 0.84 | CA2 (0.67) | CA1CA2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL15037344 | 0.84 | PPARG (0.45) | CA1CA2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL22449154 | 0.84 | PPARG (0.45) | CA1CA2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL15036987 | 0.84 | PPARG (0.45) | CA1CA2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL10658536 | 0.81 | CA1 (0.71) | CA1CA2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL20426072 | 0.80 | ITGB3 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C19SLC6A5 | |
| SCHEMBL19781398 | 0.80 | ITGB3 (0.72) | PPARGPPARA | |
| SCHEMBL19780921 | 0.79 | PPARG (0.70) | PPARGPPARA |
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-2018011230-A1 | PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA AGONISTS, METHOD OF PREPARATION AND USES THEREOF | UNIVERSITE D'AIX-MARSEILLE (FR) | 2018-01-18 | — | — | WO | disclosed |