Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.35 |
| ▸ | ESR1 | P03372 | 6/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7914109 | 0.91 | CYP2C9 (0.45) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9231773 | 0.87 | CYP2C9 (0.36) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL7911250 | 0.83 | CYP2C9 (0.37) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL7913833 | 0.81 | CYP2C9 (0.45) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9228142 | 0.78 | CYP2C9 (0.33) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL4803899 | 0.74 | CYP2C9 (0.69) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL4803893 | 0.74 | CYP2C9 (0.69) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL7903731 | 0.74 | SPHK1 (0.39) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL6276479 | 0.74 | ESR1 (0.32) | ALDH1A1KMT2AESR2ESR1 | |
| SCHEMBL8583524 | 0.74 | CYP19A1 (0.40) | ALDH1A1CYP3A4 |
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 |