Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 11/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9346071 | 0.96 | CYP2C9 (0.46) | HRH3CYP2C9KCNH2ALDH1A1LMNA | |
| SCHEMBL9348837 | 0.95 | HRH3 (0.44) | HRH3CYP2C9KCNH2ALDH1A1LMNA | |
| SCHEMBL9346170 | 0.93 | HRH3 (0.47) | HRH3CYP2C9KCNH2ALDH1A1LMNA | |
| SCHEMBL9346583 | 0.92 | HRH3 (0.45) | HRH3CYP2C9KCNH2LMNARAB9A | |
| SCHEMBL9590139 | 0.91 | HRH3 (0.44) | HRH3CYP2C9KCNH2ALDH1A1LMNA | |
| SCHEMBL9344275 | 0.91 | HRH3 (0.47) | HRH3CYP2C9KCNH2ALDH1A1LMNA | |
| SCHEMBL9345183 | 0.91 | HRH3 (0.47) | HRH3CYP2C9KCNH2ALDH1A1LMNA | |
| SCHEMBL9349300 | 0.90 | HRH3 (0.46) | HRH3CYP2C9KCNH2ALDH1A1LMNA | |
| SCHEMBL9345050 | 0.90 | HRH3 (0.46) | HRH3CYP2C9KCNH2ALDH1A1LMNA | |
| SCHEMBL9349198 | 0.90 | HRH3 (0.46) | HRH3CYP2C9KCNH2ALDH1A1LMNA |
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 |