Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | FASN | P49327 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
| ▸ | DGAT1 | O75907 | 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 | |
|---|---|---|---|---|
| SCHEMBL13614882 | 0.98 | CYP3A4 (0.33) | CYP3A4CYP2C9APPFASNS1PR4 | |
| SCHEMBL12429768 | 0.87 | DGAT1 (0.35) | CYP3A4CYP2C9ALOX5APFEN1DGAT1 | |
| SCHEMBL16488489 | 0.87 | CYP3A4 (0.32) | CYP3A4CYP2C9APPFASN | |
| SCHEMBL13615666 | 0.85 | CYP2C9 (0.41) | CYP3A4CYP2C9APPFASNS1PR4 | |
| SCHEMBL8933720 | 0.85 | CYP3A4 (0.35) | CYP3A4CYP2C9APPFASNCYP2D6 | |
| SCHEMBL20803705 | 0.84 | KDM1A (0.41) | CYP3A4CYP2C9FASNALOX5APFEN1 | |
| SCHEMBL13615028 | 0.82 | CYP3A4 (0.32) | CYP3A4CYP2C9APPFASN | |
| SCHEMBL13128386 | 0.82 | CYP2C9 (0.43) | CYP3A4CYP2C9APPFASNS1PR4 | |
| SCHEMBL13615208 | 0.82 | ALOX5AP (0.38) | CYP3A4CYP2C9APPFASNS1PR4 | |
| SCHEMBL8959378 | 0.82 | CYP3A4 (0.34) | CYP3A4CYP2C9APPFASNCYP2D6 |
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 |