Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7731783 | 1.00 | ESR2 (0.41) | ESR2TP53LMNAALDH1A1CYP3A4 | |
| SCHEMBL7734386 | 0.93 | AOC3 (0.37) | ALDH1A1CYP3A4KDM4EMAOBMAPK1 | |
| SCHEMBL7734389 | 0.93 | AOC3 (0.37) | ALDH1A1CYP3A4KDM4EMAOBMAPK1 | |
| SCHEMBL7733103 | 0.89 | AOC3 (0.35) | CYP3A4MAOB | |
| SCHEMBL7733105 | 0.89 | AOC3 (0.35) | CYP3A4MAOB | |
| SCHEMBL7731774 | 0.86 | NQO1 (0.48) | TP53ALDH1A1CYP3A4TSHRKDM4E | |
| SCHEMBL7731776 | 0.86 | NQO1 (0.48) | TP53ALDH1A1CYP3A4TSHRKDM4E | |
| SCHEMBL7731756 | 0.85 | CYP1A2 (0.36) | MAOBL3MBTL1APP | |
| SCHEMBL7731759 | 0.85 | CYP1A2 (0.36) | MAOBL3MBTL1APP | |
| SCHEMBL7723533 | 0.85 | LSS (0.39) | ALDH1A1KDM4EMAOBAPP |
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 |