Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | NAMPT | P43490 | 5/20 | 0.44 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6409864 | 0.91 | KMT2A (0.43) | CYP2C19ALDH1A1CYP1A2KMT2A | |
| SCHEMBL6410565 | 0.89 | CYP2D6 (0.51) | CYP3A4CYP2D6TSHRCYP2C19CYP2C9 | |
| SCHEMBL6410103 | 0.86 | CYP2D6 (0.42) | CYP2D6BCHEALDH1A1MEN1KMT2A | |
| SCHEMBL6409746 | 0.86 | NAMPT (0.47) | CYP3A4TSHRNAMPTCYP2C9ALDH1A1 | |
| SCHEMBL6409695 | 0.84 | HTR1A (0.49) | — | |
| SCHEMBL6410288 | 0.83 | NAMPT (0.41) | CYP3A4CYP2D6TSHRCYP2C19NAMPT | |
| SCHEMBL6409707 | 0.83 | MAPK8 (0.51) | CYP3A4CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL2400949 | 0.83 | CYP3A4 (0.50) | CYP3A4CYP2D6TSHRCYP2C19NAMPT | |
| SCHEMBL6409721 | 0.82 | CYP2D6 (0.36) | CYP3A4CYP2D6TSHRCYP2C19ALDH1A1 | |
| SCHEMBL6410188 | 0.82 | MEN1 (0.45) | CYP2D6TSHRCYP2C19ALDH1A1CYP1A2 |
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 6 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-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 | claimed |
| 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 | 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 |