Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9345300 | 1.00 | CYP2D6 (0.49) | CYP2D6CYP1A2CYP2C19HRH3LTA4H | |
| SCHEMBL9344601 | 0.96 | HRH3 (0.49) | CYP2D6CYP1A2CYP2C19HRH3LTA4H | |
| SCHEMBL9344596 | 0.96 | HRH3 (0.49) | CYP2D6CYP1A2CYP2C19HRH3LTA4H | |
| SCHEMBL9344251 | 0.95 | HRH3 (0.48) | CYP2D6HRH3LTA4HNFE2L2ALDH1A1 | |
| SCHEMBL9344264 | 0.95 | HRH3 (0.48) | CYP2D6HRH3LTA4HNFE2L2ALDH1A1 | |
| SCHEMBL9344385 | 0.91 | CYP2D6 (0.50) | CYP2D6CYP1A2CYP2C19HRH3NFE2L2 | |
| SCHEMBL9344377 | 0.91 | CYP2D6 (0.50) | CYP2D6CYP1A2CYP2C19HRH3NFE2L2 | |
| SCHEMBL9189377 | 0.91 | NR5A1 (0.51) | HRH3LTA4HLMNARAB9A | |
| SCHEMBL9591811 | 0.91 | NQO1 (0.48) | CYP2D6CYP1A2CYP2C19HRH3LTA4H | |
| SCHEMBL9346331 | 0.91 | NR5A1 (0.47) | CYP2D6HRH3LTA4HNFE2L2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0344557-B1 | Liquid crystal components with a trimethylenoxy group | HOFFMANN LA ROCHE (CH) | 1994-08-10 | — | — | EP | disclosed |
| US-5238600-A | IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1993-08-24 | — | — | US | disclosed |
| EP-0344557-A2 | Liquid crystal components with a trimethylenoxy group | F. HOFFMANN-LA ROCHE AG (CH) | 1989-12-06 | — | — | EP | disclosed |