Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FASN | P49327 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.31 |
| ▸ | FEN1 | P39748 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL8834624 | 0.88 | CYP2C9 (0.34) | FASNCYP3A4CYP2C9APPRECQL | |
| SCHEMBL7912222 | 0.87 | FASN (0.39) | FASNCYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL10014267 | 0.87 | FASN (0.39) | FASNCYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL8834614 | 0.86 | ESR2 (0.33) | RECQLESR2 | |
| SCHEMBL8834284 | 0.85 | GAA (0.32) | FASNCYP3A4CYP2C9APP | |
| SCHEMBL8834281 | 0.85 | GAA (0.33) | — | |
| SCHEMBL7911964 | 0.84 | FASN (0.38) | FASNCYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL6452519 | 0.82 | FASN (0.33) | FASNCYP3A4CYP2C9APP | |
| SCHEMBL6452523 | 0.82 | FASN (0.33) | FASNCYP3A4CYP2C9APP | |
| SCHEMBL18134246 | 0.82 | FASN (0.39) | FASNCYP3A4CYP2C9APPCYP2D6 |
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-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 |