Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL6614907 | 0.93 | CCR5 (0.69) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6612591 | 0.92 | CCR5 (0.80) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7534522 | 0.92 | CCR5 (0.71) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6013115 | 0.90 | CCR5 (1.00) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6613691 | 0.89 | CCR5 (0.69) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6614592 | 0.89 | CCR5 (0.88) | CCR5CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL5612441 | 0.89 | CCR5 (1.00) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6614238 | 0.87 | CCR5 (0.91) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6614881 | 0.87 | CCR5 (0.91) | CCR5CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14404577 | 0.87 | CCR5 (0.88) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |