Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 18/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.80 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.80 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.74 |
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 | |
|---|---|---|---|---|
| SCHEMBL6616234 | 0.93 | CXCR3 (0.74) | CCR5CYP3A4CYP2D6CYP2C9CXCR3 | |
| SCHEMBL6012970 | 0.92 | CCR5 (1.00) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6013065 | 0.92 | CCR5 (0.86) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6012314 | 0.91 | CXCR3 (0.71) | CCR5CYP3A4CYP2D6CYP2C9CXCR3 | |
| Hydrochloric Acid SCHEMBL5612271 | 0.91 | CCR5 (0.87) | CCR5CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL5612053 | 0.91 | CCR5 (1.00) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5344112 | 0.91 | CCR5 (0.76) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6013122 | 0.90 | CCR5 (0.84) | CCR5CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL5347724 | 0.90 | CCR5 (0.77) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6612106 | 0.90 | CCR5 (0.79) | CCR5CYP3A4CYP2D6CYP2C9CXCR3 |
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 |