Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6410969 | 0.89 | GRM5 (0.45) | KMT2APOLB | |
| SCHEMBL2401881 | 0.86 | CYP2D6 (0.41) | CYP2D6KMT2APOLBNAMPTTSHR | |
| SCHEMBL6410103 | 0.84 | CYP2D6 (0.42) | CYP2D6ACHEKMT2AALDH1A1OPRD1 | |
| SCHEMBL6410978 | 0.80 | FKBP1A (0.48) | CYP2D6KMT2APOLBALDH1A1CYP1A2 | |
| SCHEMBL6410565 | 0.80 | CYP2D6 (0.51) | CYP2D6KMT2APOLBTSHRALDH1A1 | |
| SCHEMBL6409864 | 0.79 | KMT2A (0.43) | KMT2APOLBALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL6409843 | 0.79 | CYP3A4 (0.47) | CYP2D6KMT2ANAMPTTSHRALDH1A1 | |
| SCHEMBL6410948 | 0.78 | NPC1 (0.44) | ACHEKMT2A | |
| SCHEMBL1457432 | 0.77 | MEN1 (0.45) | KMT2APOLBALDH1A1 | |
| SCHEMBL6410188 | 0.77 | MEN1 (0.45) | CYP2D6ACHEKMT2ATSHRALDH1A1 |
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 |