Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6611757 | 0.90 | CCR5 (0.51) | CCR5CYP3A4CYP2D6CYP2C9CXCR4 | |
| SCHEMBL6614802 | 0.90 | CCR5 (0.62) | CCR5CYP3A4CYP2D6CYP2C9CXCR4 | |
| SCHEMBL6612951 | 0.89 | CCR5 (0.71) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6613282 | 0.89 | CCR5 (0.54) | CCR5CYP3A4CYP2D6CYP2C9CXCR4 | |
| SCHEMBL6610228 | 0.89 | CCR5 (0.54) | CCR5CYP3A4CYP2D6CYP2C9CXCR4 | |
| SCHEMBL6614547 | 0.88 | CCR5 (0.53) | CCR5CYP3A4CYP2D6CYP2C9CXCR4 | |
| SCHEMBL6615530 | 0.88 | CCR5 (0.53) | CCR5CYP3A4CYP2D6CYP2C9CXCR4 | |
| SCHEMBL6612113 | 0.88 | CCR5 (0.54) | CCR5CYP3A4CYP2D6CYP2C9CXCR4 | |
| SCHEMBL6615402 | 0.88 | CCR5 (0.61) | CCR5CYP3A4CYP2D6CYP2C9CXCR4 | |
| SCHEMBL6612930 | 0.86 | CCR5 (0.58) | CCR5CYP3A4CYP2D6CYP2C9CXCR4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1236726-B1 | TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO (JP) | 2004-12-01 | — | — | EP | disclosed |
| EP-1236726-A1 | TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2002-09-04 | — | — | EP | disclosed |