Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6013200 | 0.94 | CCR5 (0.83) | CCR5CYP3A4CYP2C9CYP2D6CHRM3 | |
| Hydrochloric Acid SCHEMBL5612251 | 0.94 | CCR5 (0.84) | CCR5CYP3A4CYP2C9CYP2D6CHRM3 | |
| SCHEMBL6012507 | 0.88 | CCR5 (0.98) | CCR5CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL14404825 | 0.88 | CCR5 (0.80) | CCR5CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL14404647 | 0.87 | CCR5 (0.74) | CCR5CYP3A4CYP2C9CYP2D6CHRM3 | |
| Hydrochloric Acid SCHEMBL5612426 | 0.87 | CCR5 (1.00) | CCR5CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL5345522 | 0.86 | CCR5 (0.88) | CCR5CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL6012625 | 0.86 | CCR5 (0.75) | CCR5CYP3A4CYP2C9CYP2D6CHRM3 | |
| SCHEMBL14404828 | 0.86 | CCR5 (0.66) | CCR5CYP3A4CYP2C9CYP2D6CHRM3 | |
| SCHEMBL6012805 | 0.86 | CCR5 (0.85) | CCR5CYP3A4CYP2C9CYP2D6CHRM3 |
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-7285552-B2 | Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient | ONO PHARMACEUTICALS CO., LTD. (JP) | 2007-10-23 | — | — | US | disclosed |