Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK8 | P45983 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2403591 | 0.87 | MAPK8 (0.57) | MAPK8ALDH1A1 | |
| SCHEMBL6409574 | 0.85 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL6410155 | 0.84 | HPGD (0.39) | ALDH1A1CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL6409843 | 0.83 | CYP3A4 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15309149 | 0.80 | TDP1 (0.44) | MAPK8ALDH1A1CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL6410103 | 0.80 | CYP2D6 (0.42) | ALDH1A1 | |
| SCHEMBL6410188 | 0.79 | MEN1 (0.45) | ALDH1A1CYP2C19 | |
| SCHEMBL6410565 | 0.79 | CYP2D6 (0.51) | MAPK8ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6409864 | 0.78 | KMT2A (0.43) | MAPK8ALDH1A1CYP2C19 | |
| SCHEMBL6410948 | 0.77 | NPC1 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1401841-B1 | SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN | GRUENENTHAL GMBH (DE) | 2005-08-24 | — | — | EP | claimed |
| EP-1401841-B1 | SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN | GRUENENTHAL GMBH (DE) | 2005-08-24 | — | — | EP | disclosed |
| EP-1401841-A1 | SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN | Grünenthal GmbH (DE) | 2004-03-31 | — | — | EP | disclosed |
| WO-2003000699-A1 | SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN | Grünenthal GmbH (DE) | 2003-01-03 | — | — | WO | disclosed |