Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL4039483 | 0.90 | CCR5 (0.34) | CCR5CYP3A4CYP2C9 | |
| Benzamide SCHEMBL3917667 | 0.89 | CCR5 (0.37) | CCR5KCNH2 | |
| Benzamide SCHEMBL4033416 | 0.83 | DPP4 (0.33) | — | |
| SCHEMBL4035139 | 0.81 | GAA (0.43) | CCR5 | |
| SCHEMBL3914971 | 0.78 | CCR5 (0.35) | CCR5CYP3A4CYP2C9 | |
| SCHEMBL1799699 | 0.77 | CCR5 (0.44) | CCR5 | |
| SCHEMBL1801164 | 0.77 | NPC1 (0.45) | CCR5CYP3A4CYP2C9 | |
| SCHEMBL4038217 | 0.76 | CCR5 (0.32) | CCR5 | |
| SCHEMBL4046162 | 0.76 | MCHR1 (0.38) | CYP3A4CYP2C9 | |
| SCHEMBL4036440 | 0.76 | TSHR (0.34) | KCNH2 |
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 |