Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | NQO1 | P15559 | 1/20 | 0.34 |
| ▸ | LSS | P48449 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7734386 | 1.00 | AOC3 (0.37) | AOC3MAOBCYP3A4CYP2D6NQO1 | |
| SCHEMBL7733103 | 0.96 | AOC3 (0.35) | AOC3MAOBCYP3A4CYP2D6NQO1 | |
| SCHEMBL7733105 | 0.96 | AOC3 (0.35) | AOC3MAOBCYP3A4CYP2D6NQO1 | |
| SCHEMBL7731783 | 0.93 | ESR2 (0.41) | MAOBCYP3A4KDM4EALDH1A1MAPT | |
| SCHEMBL7731774 | 0.93 | NQO1 (0.48) | CYP3A4CYP2D6NQO1CYP2C9CYP2C19 | |
| SCHEMBL7731776 | 0.93 | NQO1 (0.48) | CYP3A4CYP2D6NQO1CYP2C9CYP2C19 | |
| SCHEMBL7731780 | 0.93 | ESR2 (0.41) | MAOBCYP3A4KDM4EALDH1A1MAPT | |
| SCHEMBL7731756 | 0.91 | CYP1A2 (0.36) | MAOBCYP2D6CYP2C19CYP1A2 | |
| SCHEMBL7723533 | 0.91 | LSS (0.39) | MAOBLSSCHRNA7KDM4EALDH1A1 | |
| SCHEMBL7723546 | 0.91 | NPSR1 (0.36) | MAOBMAPTMAPK1 |
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 |