Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 13/20 | 0.52 |
| ▸ | PPARA | Q07869 | 3/20 | 0.52 |
| ▸ | PPARG | P37231 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5504301 | 0.83 | ACACB (0.41) | PPARDPPARAPPARGSLC6A4CYP1A2 | |
| SCHEMBL10944856 | 0.78 | PPARA (0.56) | PPARDPPARAPPARGCYP1A2GAA | |
| SCHEMBL11597291 | 0.77 | CYP1A2 (0.59) | PPARDPPARAPPARGCYP1A2GAA | |
| SCHEMBL21057241 | 0.77 | CYP1A2 (0.59) | PPARDPPARAPPARGCYP1A2GAA | |
| SCHEMBL25212758 | 0.77 | CYP1A2 (0.59) | PPARDPPARAPPARGCYP1A2GAA | |
| SCHEMBL5501943 | 0.75 | PPARG (0.47) | PPARDPPARAPPARGCYP1A2GAA | |
| SCHEMBL5629870 | 0.74 | PPARD (0.63) | PPARDPPARAPPARG | |
| SCHEMBL5497621 | 0.74 | EPHX2 (0.46) | PPARDPPARAPPARGCYP1A2GAA | |
| SCHEMBL5974763 | 0.73 | PPARD (0.52) | PPARDPPARA | |
| SCHEMBL136831 | 0.73 | CYP1A2 (0.54) | PPARDPPARAPPARGCYP1A2GAA |
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 | disclosed |
| WO-2006002802-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-12 | — | — | WO | disclosed |