Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 16/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3916834 | 0.82 | MEN1 (0.44) | CYP3A4CCR5ALDH1A1HPGD | |
| SCHEMBL4042055 | 0.81 | OPRL1 (0.41) | ALDH1A1HPGD | |
| SCHEMBL4038679 | 0.74 | CACNA1G (0.42) | ALDH1A1HPGD | |
| SCHEMBL4035065 | 0.74 | CYP3A4 (0.38) | CYP3A4CCR5CXCR4 | |
| SCHEMBL4039930 | 0.73 | CYP3A4 (0.33) | CYP3A4CCR5 | |
| SCHEMBL4037819 | 0.72 | CCR5 (0.38) | CYP3A4CCR5ALDH1A1 | |
| SCHEMBL4040751 | 0.68 | HTT (0.38) | — | |
| SCHEMBL3916730 | 0.68 | CYP3A4 (0.39) | CYP3A4CCR5CXCR4 | |
| SCHEMBL3916142 | 0.67 | CYP3A4 (0.35) | CYP3A4CCR5ALDH1A1 | |
| SCHEMBL4040266 | 0.66 | FAAH (0.30) | — |
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-1730144-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-10 | — | — | EP | claimed |
| EP-1730144-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS | Grünenthal GmbH (DE) | 2006-12-13 | — | — | EP | claimed |
| WO-2005095398-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS | Grünenthal GmbH (DE) | 2005-10-13 | — | — | WO | claimed |
| EP-1730144-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-10 | — | — | EP | disclosed |
| EP-1730144-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS | Grünenthal GmbH (DE) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005095398-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS | Grünenthal GmbH (DE) | 2005-10-13 | — | — | WO | disclosed |