Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 7/20 | 0.56 |
| ▸ | MAOB | P27338 | 7/20 | 0.56 |
| ▸ | KDM1A | O60341 | 2/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | TOP1 | P11387 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8778979 | 0.90 | MAOA (0.56) | MAOAMAOBKDM1AHRH3CYP2D6 | |
| SCHEMBL8778993 | 0.85 | MAOB (0.63) | MAOAMAOBKDM1AHRH3CA2 | |
| SCHEMBL17355183 | 0.82 | MAOB (0.53) | MAOAMAOBKDM1AHRH3CA2 | |
| SCHEMBL8779017 | 0.78 | MAOB (0.63) | MAOAMAOBKDM1ATOP1 | |
| SCHEMBL8778942 | 0.77 | METAP1 (0.44) | KDM1A | |
| SCHEMBL30769168 | 0.77 | MAOB (0.65) | MAOAMAOBKDM1A | |
| SCHEMBL8779163 | 0.73 | HTT (0.46) | MAOAMAOB | |
| SCHEMBL8778939 | 0.73 | MAPT (0.41) | KDM1A | |
| SCHEMBL2310789 | 0.73 | MAOB (0.57) | MAOAMAOBHRH3CA2CA5A | |
| SCHEMBL30067289 | 0.72 | MAOB (1.00) | MAOAMAOB |
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-0606661-B1 | Octahydrophenanthrene derivatives and their use as NMDA-Antagonists | HOFFMANN LA ROCHE (CH) | 1997-03-12 | — | — | EP | disclosed |
| US-5385947-A | For prevention of nerve damage due to reduction of blood or oxygen supplies | HOFFMANN-LA ROCHE INC. (US) | 1995-01-31 | — | — | US | disclosed |
| EP-0606661-A1 | Octahydrophenanthrene derivatives and their use as NMDA-Antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1994-07-20 | — | — | EP | disclosed |