Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 19/20 | 0.33 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4038065 | 0.89 | CYP3A4 (0.38) | CYP3A4CCR5CXCR4 | |
| SCHEMBL4034528 | 0.84 | SCN4A (0.30) | — | |
| SCHEMBL4035605 | 0.84 | CYP3A4 (0.38) | CYP3A4CCR5CXCR4 | |
| SCHEMBL4035065 | 0.81 | CYP3A4 (0.38) | CYP3A4CCR5CXCR4 | |
| Benzamide SCHEMBL4040818 | 0.80 | CYP3A4 (0.40) | CYP3A4CCR5CXCR4 | |
| SCHEMBL3916142 | 0.79 | CYP3A4 (0.35) | CYP3A4CCR5 | |
| SCHEMBL3919581 | 0.78 | CYP3A4 (0.39) | CYP3A4CCR5CXCR4 | |
| SCHEMBL4036932 | 0.77 | CYP3A4 (0.40) | CYP3A4CCR5CXCR4 | |
| SCHEMBL1800972 | 0.75 | L3MBTL1 (0.42) | CYP3A4 | |
| SCHEMBL3916730 | 0.75 | CYP3A4 (0.39) | CYP3A4CCR5CXCR4 |
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 |