Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | FASN | P49327 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RORA | P35398 | 1/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL7903747 | 0.97 | CYP3A4 (0.33) | CYP3A4CYP2C9APPFASNRORC | |
| SCHEMBL7913815 | 0.96 | MAPT (0.34) | CYP3A4CYP2C9APPFASNRORC | |
| SCHEMBL7914042 | 0.94 | APP (0.33) | CYP3A4CYP2C9APPFASNRORC | |
| SCHEMBL7903569 | 0.91 | CYP2C9 (0.35) | CYP3A4CYP2C9APPFASNALDH1A1 | |
| SCHEMBL8833682 | 0.89 | ALDH1A1 (0.36) | CYP2C9ALDH1A1TSHRHSD17B10GAA | |
| SCHEMBL7917636 | 0.88 | ALDH1A1 (0.35) | CYP3A4CYP2C9APPFASNALDH1A1 | |
| SCHEMBL7911232 | 0.87 | ALDH1A1 (0.38) | CYP2C9ALDH1A1TSHRHSD17B10GAA | |
| SCHEMBL7903622 | 0.87 | ALDH1A1 (0.38) | CYP2C9ALDH1A1TSHRHSD17B10GAA | |
| SCHEMBL6464455 | 0.86 | SCN9A (0.34) | FASNRORCGAAMAPTRORA | |
| SCHEMBL6464452 | 0.86 | SCN9A (0.34) | FASNRORCGAAMAPTRORA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0640578-B2 | Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition | CHISSO CORP (JP) | 2001-06-27 | — | — | EP | disclosed |
| EP-0640578-B1 | Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition | CHISSO CORP (JP) | 1997-11-05 | — | — | EP | disclosed |
| EP-0640578-A1 | Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition | Chisso Corporation (JP) | 1995-03-01 | — | — | EP | disclosed |