Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 11/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.47 |
| ▸ | RARB | P10826 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7734374 | 1.00 | CYP2D6 (0.51) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL7731753 | 0.97 | RARB (0.49) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL7731749 | 0.97 | RARB (0.49) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL7734402 | 0.95 | RARB (0.51) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL7733650 | 0.95 | RARB (0.51) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL7733641 | 0.95 | RARB (0.51) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL7723526 | 0.95 | RARB (0.51) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL7733635 | 0.95 | RARB (0.51) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL7734377 | 0.95 | RARB (0.51) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL7734380 | 0.95 | RARB (0.51) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 |
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 |