Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 4/20 | 0.35 |
| ▸ | AOC2 | O75106 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | CXCR1 | P25024 | 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 | |
|---|---|---|---|---|
| SCHEMBL7731756 | 1.00 | CYP1A2 (0.36) | CYP1A2CYP2D6CYP2C19TDP1L3MBTL1 | |
| SCHEMBL7734389 | 0.91 | AOC3 (0.37) | CYP1A2CYP2D6CYP2C19MAOB | |
| SCHEMBL7734386 | 0.91 | AOC3 (0.37) | CYP1A2CYP2D6CYP2C19MAOB | |
| SCHEMBL7733103 | 0.88 | AOC3 (0.35) | CYP1A2CYP2D6CYP2C19MAOB | |
| SCHEMBL7733105 | 0.88 | AOC3 (0.35) | CYP1A2CYP2D6CYP2C19MAOB | |
| SCHEMBL7731783 | 0.85 | ESR2 (0.41) | L3MBTL1MAOBAPP | |
| SCHEMBL7731774 | 0.85 | NQO1 (0.48) | CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL7731780 | 0.85 | ESR2 (0.41) | L3MBTL1MAOBAPP | |
| SCHEMBL7731776 | 0.85 | NQO1 (0.48) | CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL7733694 | 0.84 | POLB (0.37) | L3MBTL1MAOBMAOAGRM5 |
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-0929508-B1 | LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS | QINETIQ LTD (GB) | 2002-03-20 | — | — | EP | disclosed |
| US-6106908-A | OPTICAL APPARATUS WITH LIQUID CRYSTAL COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 2000-08-22 | — | — | US | disclosed |