Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 8/20 | 0.43 |
| ▸ | PPARD | Q03181 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 8/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5497621 | 0.74 | EPHX2 (0.46) | PPARAPPARDCYP1A2GAACYP2C9 | |
| SCHEMBL5486731 | 0.73 | PTGDR2 (0.57) | PPARAPPARDPPARGPTGDR2 | |
| SCHEMBL5490364 | 0.72 | PTGDR2 (0.56) | PPARAPPARDPPARGPTGDR2 | |
| SCHEMBL11151598 | 0.70 | CYP1A2 (0.55) | PPARACYP1A2GAACYP2C9PKM | |
| SCHEMBL5496562 | 0.70 | PPARD (0.52) | PPARAPPARDCYP1A2GAACYP2C9 | |
| SCHEMBL5488425 | 0.68 | PTGDR2 (0.44) | PPARAPPARDPPARGPTGDR2 | |
| SCHEMBL10944856 | 0.68 | PPARA (0.56) | PPARAPPARDCYP1A2GAACYP2C9 | |
| SCHEMBL9780575 | 0.67 | PPARG (0.60) | PPARACYP1A2GAACYP2C9PKM | |
| SCHEMBL9780582 | 0.67 | PPARG (0.60) | PPARACYP1A2GAACYP2C9PKM | |
| SCHEMBL25212758 | 0.66 | CYP1A2 (0.59) | PPARAPPARDCYP1A2GAACYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1765760-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-28 | — | — | EP | claimed |
| WO-2006002802-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-12 | — | — | WO | claimed |