Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | FASN | P49327 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL13615183 | 0.89 | CYP3A4 (0.40) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL8959172 | 0.88 | CYP3A4 (0.35) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL13614954 | 0.88 | CYP3A4 (0.33) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL12749285 | 0.85 | FASN (0.43) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL16488490 | 0.85 | CYP3A4 (0.32) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL12856683 | 0.84 | FASN (0.45) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL8933220 | 0.84 | CYP3A4 (0.37) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL15256085 | 0.83 | CYP3A4 (0.35) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL14959159 | 0.83 | CYP3A4 (0.39) | CYP3A4CYP2C9APPCYP2D6CYP2C19 | |
| SCHEMBL13615007 | 0.83 | CYP3A4 (0.34) | CYP3A4CYP2C9APPCYP2D6CYP2C19 |
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 |