Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.55 |
| ▸ | MAOB | P27338 | 9/20 | 0.47 |
| ▸ | MAOA | P21397 | 3/20 | 0.47 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5809330 | 0.89 | HRH3 (0.54) | HRH3MAOBMAOACARM1SLC6A2 | |
| SCHEMBL3505217 | 0.85 | HRH3 (0.52) | HRH3MAOBMAOASCN9A | |
| SCHEMBL4430139 | 0.83 | HRH3 (0.50) | HRH3MAOBMAOASCN9A | |
| SCHEMBL3506276 | 0.80 | HRH3 (0.56) | HRH3MAOBMAOASCN9A | |
| SCHEMBL3506271 | 0.80 | HRH3 (0.56) | HRH3MAOBMAOASCN9A | |
| SCHEMBL4424255 | 0.79 | MAOB (0.60) | MAOBMAOASLC6A2SLC6A4 | |
| SCHEMBL3504780 | 0.76 | MAOB (0.56) | HRH3MAOBMAOA | |
| SCHEMBL565890 | 0.76 | CARM1 (0.46) | HRH3MAOBMAOACARM1 | |
| SCHEMBL3507700 | 0.75 | ITGB3 (0.57) | MAOBMAOACARM1 | |
| SCHEMBL5040828 | 0.75 | MRGPRX4 (0.52) | HRH3MAOBMAOASCN9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006138475-A2 | MAO-B INHIBITORS USEFUL FOR TREATING OBESITY | JENRIN DISCOVERY (US) | 2006-12-28 | — | — | WO | disclosed |
| EP-1501804-A1 | ISOQUINOLINE DERIVATIVES MAO-B INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003091219-A1 | ISOQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-06 | — | — | WO | disclosed |