Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 11/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9231773 | 0.92 | CYP2C9 (0.36) | CYP2C9SPHK1MAPTALDH1A1LMNA | |
| SCHEMBL7914109 | 0.91 | CYP2C9 (0.45) | CYP2C9SPHK1MAPTALDH1A1LMNA | |
| SCHEMBL7903731 | 0.84 | SPHK1 (0.39) | CYP2C9SPHK1MAPTALDH1A1LMNA | |
| SCHEMBL7917639 | 0.83 | CYP2C9 (0.44) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL9228142 | 0.83 | CYP2C9 (0.33) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL10579686 | 0.77 | CYP2C9 (0.54) | CYP2C9SPHK1MAPTALDH1A1LMNA | |
| SCHEMBL9399116 | 0.77 | CYP2C9 (0.54) | CYP2C9SPHK1MAPTALDH1A1LMNA | |
| SCHEMBL7913833 | 0.77 | CYP2C9 (0.45) | CYP2C9SPHK1MAPTALDH1A1LMNA | |
| SCHEMBL11199904 | 0.76 | SPHK1 (0.54) | CYP2C9SPHK1MAPTALDH1A1LMNA | |
| SCHEMBL11193637 | 0.76 | SPHK1 (0.54) | CYP2C9SPHK1MAPTALDH1A1LMNA |
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 |