Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL4042277 | 0.84 | CCR5 (0.33) | CCR5CYP3A4CYP2C9 | |
| SCHEMBL3925435 | 0.83 | CCR5 (0.37) | CCR5CYP3A4CYP2C9EPHX1EPHX2 | |
| SCHEMBL4035052 | 0.83 | CACNA1G (0.40) | CCR5 | |
| SCHEMBL1801496 | 0.78 | CCR5 (0.38) | CCR5CYP3A4CYP2C9 | |
| SCHEMBL4038217 | 0.77 | CCR5 (0.32) | CCR5 | |
| SCHEMBL4039483 | 0.76 | CCR5 (0.34) | CCR5CYP3A4CYP2C9 | |
| SCHEMBL4032115 | 0.76 | CCR5 (0.30) | CCR5 | |
| SCHEMBL3914971 | 0.75 | CCR5 (0.35) | CCR5CYP3A4CYP2C9 | |
| SCHEMBL3926289 | 0.72 | CCR5 (0.33) | CCR5 | |
| SCHEMBL4040751 | 0.71 | HTT (0.38) | — |
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 |