Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 10/20 | 0.34 |
| ▸ | ESR1 | P03372 | 6/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7913833 | 0.90 | CYP2C9 (0.45) | SPHK1ESR2CYP2C9SPHK2 | |
| SCHEMBL7903731 | 0.87 | SPHK1 (0.39) | SPHK1ESR2CYP2C9SPHK2 | |
| SCHEMBL8753766 | 0.75 | CYP2C9 (0.32) | ESR1ESR2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL7513605 | 0.75 | CYP2C9 (0.32) | ESR1ESR2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL11187439 | 0.73 | ESR2 (0.52) | SPHK1ESR1ESR2CYP2C9CYP3A4 | |
| SCHEMBL11187444 | 0.73 | ESR2 (0.52) | SPHK1ESR1ESR2CYP2C9CYP3A4 | |
| SCHEMBL7914109 | 0.71 | CYP2C9 (0.45) | SPHK1ESR1ESR2CYP2C9CYP3A4 | |
| SCHEMBL7911250 | 0.71 | CYP2C9 (0.37) | SPHK1ESR2CYP2C9SPHK2 | |
| SCHEMBL7917639 | 0.70 | CYP2C9 (0.44) | ESR1ESR2CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL11317730 | 0.69 | ESR2 (0.44) | ESR1ESR2CYP2C9CYP3A4CYP2D6 |
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 |