Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.64 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL6012498 | 0.88 | CCR5 (0.77) | CCR5CYP3A4CYP2D6CYP2C9CHRM3 | |
| Hydrochloric Acid SCHEMBL5612832 | 0.87 | CCR5 (0.78) | CCR5CYP3A4CYP2D6CYP2C9CHRM3 | |
| SCHEMBL6012770 | 0.87 | CCR5 (0.73) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6012645 | 0.85 | CCR5 (0.76) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6012767 | 0.83 | CCR5 (0.84) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6012555 | 0.83 | CCR5 (0.84) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6012635 | 0.83 | CCR5 (0.81) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6611543 | 0.83 | CCR5 (0.77) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6611717 | 0.83 | CCR5 (0.66) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6013033 | 0.83 | CCR5 (0.99) | CCR5CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-7119091-B2 | Triazaspiro[5.5]undecane derivatives and pharmaceutical compositions comprising thereof, as an active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2006-10-10 | — | — | US | disclosed |
| 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 |