Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14404720 | 1.00 | CCR5 (0.62) | CCR5CYP2C9CYP2D6CXCR4 | |
| SCHEMBL14404707 | 0.94 | CCR5 (0.55) | CCR5CYP2C9CYP2D6CXCR4 | |
| SCHEMBL6012946 | 0.93 | CCR5 (0.73) | CCR5CYP2C9CYP2D6CXCR4 | |
| SCHEMBL6012935 | 0.93 | CCR5 (0.73) | CCR5CYP2C9CYP2D6CXCR4 | |
| SCHEMBL5346096 | 0.93 | CCR5 (0.73) | CCR5CYP2C9CYP2D6CXCR4 | |
| Hydrochloric Acid SCHEMBL6638861 | 0.92 | CCR5 (0.74) | CCR5CYP2C9CYP2D6CXCR4 | |
| SCHEMBL5345622 | 0.92 | CCR5 (0.72) | CCR5CYP2C9CYP2D6CXCR4 | |
| Hydrochloric Acid SCHEMBL6641799 | 0.91 | CCR5 (0.73) | CCR5CYP2C9CYP2D6CXCR4 | |
| SCHEMBL5346992 | 0.90 | CCR5 (0.56) | CCR5CYP2C9CYP2D6CXCR4 | |
| SCHEMBL6012426 | 0.90 | CCR5 (0.56) | CCR5CYP2C9CYP2D6CXCR4 |
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-7285552-B2 | Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient | ONO PHARMACEUTICALS CO., LTD. (JP) | 2007-10-23 | — | — | US | disclosed |
| 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 | disclosed |