Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | RARB | P10826 | 4/20 | 0.51 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | LTA4H | P09960 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9349042 | 1.00 | CYP2D6 (0.51) | CYP2D6CYP3A4RARBNR5A1CYP19A1 | |
| SCHEMBL9349044 | 1.00 | CYP2D6 (0.51) | CYP2D6CYP3A4RARBNR5A1CYP19A1 | |
| SCHEMBL9346005 | 1.00 | CYP2D6 (0.51) | CYP2D6CYP3A4RARBNR5A1CYP19A1 | |
| SCHEMBL9349035 | 1.00 | CYP2D6 (0.51) | CYP2D6CYP3A4RARBNR5A1CYP19A1 | |
| SCHEMBL9348925 | 1.00 | CYP2D6 (0.51) | CYP2D6CYP3A4RARBNR5A1CYP19A1 | |
| SCHEMBL9345994 | 1.00 | CYP2D6 (0.51) | CYP2D6CYP3A4RARBNR5A1CYP19A1 | |
| SCHEMBL9349031 | 1.00 | CYP2D6 (0.51) | CYP2D6CYP3A4RARBNR5A1CYP19A1 | |
| SCHEMBL9348916 | 1.00 | CYP2D6 (0.51) | CYP2D6CYP3A4RARBNR5A1CYP19A1 | |
| SCHEMBL9346569 | 1.00 | CYP2D6 (0.51) | CYP2D6CYP3A4RARBNR5A1CYP19A1 | |
| SCHEMBL9349515 | 0.98 | CYP2D6 (0.53) | CYP2D6CYP3A4RARBNR5A1CYP19A1 |
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 |