Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9344953 | 1.00 | HRH3 (0.46) | HRH3ITGB3ITGA2BCYP2D6CYP3A4 | |
| SCHEMBL9345141 | 0.96 | ITGB3 (0.44) | HRH3ITGB3ITGA2BCYP2D6CYP3A4 | |
| SCHEMBL9345151 | 0.96 | ITGB3 (0.44) | HRH3ITGB3ITGA2BCYP2D6CYP3A4 | |
| SCHEMBL11061723 | 0.96 | CYP2D6 (0.47) | HRH3ITGB3ITGA2BCYP2D6CYP3A4 | |
| SCHEMBL11061725 | 0.96 | CYP2D6 (0.47) | HRH3ITGB3ITGA2BCYP2D6CYP3A4 | |
| SCHEMBL9345144 | 0.96 | HRH3 (0.49) | HRH3ITGB3ITGA2BCYP2D6CYP3A4 | |
| SCHEMBL9345132 | 0.96 | HRH3 (0.49) | HRH3ITGB3ITGA2BCYP2D6CYP3A4 | |
| SCHEMBL9346207 | 0.93 | ITGB3 (0.46) | HRH3ITGB3ITGA2BCYP2D6CYP3A4 | |
| SCHEMBL9346188 | 0.93 | ITGB3 (0.46) | HRH3ITGB3ITGA2BCYP2D6CYP3A4 | |
| SCHEMBL9344249 | 0.93 | HRH3 (0.47) | HRH3ITGB3ITGA2BCYP2D6CYP3A4 |
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 |