Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 15/20 | 0.44 |
| ▸ | HRH2 | P25021 | 5/20 | 0.44 |
| ▸ | HRH1 | P35367 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9344915 | 0.95 | KDM4E (0.44) | HRH3KDM4ENFE2L2MEN1KMT2A | |
| SCHEMBL9348861 | 0.93 | HTT (0.43) | HRH3HRH2HRH1KDM4EALDH1A1 | |
| SCHEMBL9346382 | 0.90 | HRH3 (0.58) | HRH3HRH2HRH1 | |
| SCHEMBL9349652 | 0.88 | HTT (0.47) | HRH3KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL9349452 | 0.85 | HRH3 (0.52) | HRH3HRH2HRH1ALDH1A1MEN1 | |
| SCHEMBL9344380 | 0.84 | CYP2D6 (0.47) | HRH3HRH2HRH1KDM4EALDH1A1 | |
| SCHEMBL9349475 | 0.84 | CYP2D6 (0.44) | HRH3HRH2HRH1KDM4EALDH1A1 | |
| SCHEMBL9346147 | 0.84 | CYP2D6 (0.51) | KDM4EALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL9345239 | 0.83 | HRH3 (0.48) | HRH3KDM4ECYP3A4 | |
| SCHEMBL9349086 | 0.83 | HPGD (0.43) | HRH3HRH2HRH1KDM4ENFE2L2 |
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 |