Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | LSS | P48449 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL7734386 | 0.96 | AOC3 (0.37) | AOC3MAOBCYP3A4CYP2D6NQO1 | |
| SCHEMBL7734389 | 0.96 | AOC3 (0.37) | AOC3MAOBCYP3A4CYP2D6NQO1 | |
| SCHEMBL7731780 | 0.89 | ESR2 (0.41) | MAOBCYP3A4 | |
| SCHEMBL7731774 | 0.89 | NQO1 (0.48) | CYP3A4CYP2D6NQO1CYP1A2CYP2C9 | |
| SCHEMBL7723533 | 0.88 | LSS (0.39) | MAOBLSSCHRNA7 | |
| SCHEMBL7731759 | 0.88 | CYP1A2 (0.36) | MAOBCYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7731756 | 0.88 | CYP1A2 (0.36) | MAOBCYP2D6CYP1A2CYP2C19 | |
| SCHEMBL7723537 | 0.88 | LSS (0.39) | MAOBLSSCHRNA7 | |
| SCHEMBL7723546 | 0.88 | NPSR1 (0.36) | MAOB | |
| SCHEMBL7723540 | 0.88 | NPSR1 (0.36) | MAOB |
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 |