Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 12/20 | 0.63 |
| ▸ | MAOA | P21397 | 11/20 | 0.63 |
| ▸ | KDM1A | O60341 | 2/20 | 0.49 |
| ▸ | TOP1 | P11387 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779017 | 0.90 | MAOB (0.63) | MAOBMAOAKDM1ATOP1NPC1 | |
| SCHEMBL30769168 | 0.89 | MAOB (0.65) | MAOBMAOAKDM1ANPC1ALDH1A1 | |
| SCHEMBL8778973 | 0.85 | MAOA (0.56) | MAOBMAOAKDM1ATOP1CA2 | |
| SCHEMBL12747715 | 0.84 | MAOB (0.55) | MAOBMAOAKDM1ATOP1CA2 | |
| SCHEMBL30067289 | 0.78 | MAOB (1.00) | MAOBMAOANPC1ALDH1A1HPGD | |
| SCHEMBL3501723 | 0.78 | MAOB (1.00) | MAOBMAOANPC1ALDH1A1HPGD | |
| SCHEMBL7215662 | 0.78 | MAOB (0.94) | MAOBMAOANPC1ALDH1A1HPGD | |
| SCHEMBL8778979 | 0.78 | MAOA (0.56) | MAOBMAOAKDM1AHRH3 | |
| SCHEMBL12747660 | 0.77 | MAOB (0.51) | MAOBMAOAKDM1ATOP1HRH3 | |
| SCHEMBL8779124 | 0.77 | HTR2A (0.51) | MAOBMAOACA2DRD2HTR2A |
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 |