Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 14/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Benzamide SCHEMBL4034408 | 0.94 | GAA (0.36) | CCR5CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL4034717 | 0.91 | CCR5 (0.34) | CCR5CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL4037166 | 0.89 | CACNA1G (0.38) | CCR5BCHE | |
| SCHEMBL4037625 | 0.87 | ALDH1A1 (0.40) | CCR5CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL4042055 | 0.84 | OPRL1 (0.41) | ALDH1A1 | |
| SCHEMBL4040266 | 0.82 | FAAH (0.30) | FAAH | |
| SCHEMBL4038065 | 0.82 | CYP3A4 (0.38) | CCR5CYP3A4 | |
| SCHEMBL4035369 | 0.82 | GAA (0.42) | CCR5ALDH1A1 | |
| Benzamide SCHEMBL4040818 | 0.81 | CYP3A4 (0.40) | CCR5CYP3A4CYP2C9 | |
| SCHEMBL3927025 | 0.80 | CYP3A4 (0.44) | CCR5CYP3A4ALDH1A1CYP1A2CYP2C9 |
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 |