Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5AP | P20292 | 8/20 | 0.38 |
| ▸ | FEN1 | P39748 | 8/20 | 0.38 |
| ▸ | FASN | P49327 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.32 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.32 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL19844726 | 0.97 | FASN (0.36) | ALOX5APFEN1FASNCYP3A4CYP2C9 | |
| SCHEMBL19844731 | 0.94 | FASN (0.35) | ALOX5APFEN1FASNCYP3A4CYP2C9 | |
| SCHEMBL13615184 | 0.92 | CYP2C9 (0.39) | ALOX5APFEN1FASNCYP3A4CYP2C9 | |
| SCHEMBL13615666 | 0.90 | CYP2C9 (0.41) | ALOX5APFEN1FASNCYP3A4CYP2C9 | |
| SCHEMBL13636825 | 0.90 | APP (0.35) | ALOX5APFEN1FASNCYP3A4CYP2C9 | |
| SCHEMBL29097485 | 0.88 | FASN (0.37) | ALOX5APFEN1FASNCYP3A4CYP2C9 | |
| SCHEMBL14268566 | 0.88 | FASN (0.37) | ALOX5APFEN1FASNCYP3A4CYP2C9 | |
| SCHEMBL30665735 | 0.88 | FASN (0.37) | ALOX5APFEN1FASNCYP3A4CYP2C9 | |
| SCHEMBL11132023 | 0.88 | CYP3A4 (0.45) | ALOX5APFEN1FASNCYP3A4CYP2C9 | |
| SCHEMBL11132028 | 0.88 | CYP3A4 (0.45) | ALOX5APFEN1FASNCYP3A4CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2116522-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY | Chisso Corporation (JP) | 2009-11-11 | — | — | EP | disclosed |