Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | TNNC1 | P63316 | 4/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 7/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SPHK2 | Q9NRA0 | 4/20 | 0.33 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9248283 | 1.00 | MAOA (0.37) | MAOAMAOBS1PR3CYP3A4CYP2C8 | |
| SCHEMBL9166377 | 0.92 | MAOB (0.36) | MAOBS1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9166382 | 0.92 | MAOB (0.36) | MAOBS1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9166385 | 0.92 | MAOB (0.36) | MAOBS1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9157578 | 0.91 | ESR1 (0.45) | MAOBS1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9465921 | 0.91 | S1PR3 (0.35) | S1PR3CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL9159039 | 0.91 | MAOB (0.35) | MAOBS1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9167123 | 0.91 | KCNH2 (0.46) | MAOBS1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9157596 | 0.91 | ESR1 (0.45) | MAOBS1PR3CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9159036 | 0.91 | MAOB (0.35) | MAOBS1PR3CYP3A4CYP2C8CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0442306-B1 | (4E-cyclohexyl-3-butenyl)phenyl derivatives | HOFFMANN LA ROCHE (CH) | 1995-04-12 | — | — | EP | disclosed |
| EP-0442306-A2 | (4E-cyclohexyl-3-butenyl)phenyl derivatives | F. Hoffmann-La Roche AG (CH) | 1991-08-21 | — | — | EP | disclosed |