Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5349911 | 0.96 | CCR5 (0.53) | CCR5CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL6010865 | 0.95 | CCR5 (0.54) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5344187 | 0.94 | CCR5 (0.54) | CCR5CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL6638661 | 0.93 | CCR5 (0.56) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5344594 | 0.92 | CCR5 (0.54) | CCR5CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL6635182 | 0.91 | CCR5 (0.55) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5343757 | 0.89 | CCR5 (0.54) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5343697 | 0.88 | CCR5 (0.60) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6012695 | 0.88 | CCR5 (0.60) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5343139 | 0.88 | CCR5 (0.56) | CCR5CYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7262193-B2 | Triazaspiro[5.5]undecane derivative and pharmaceutical composition comprising the same as active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-08-28 | — | — | US | claimed |