Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL5343412 | 0.91 | CCR5 (0.77) | CCR5CYP2C9CYP2D6CXCR4 | |
| SCHEMBL6012619 | 0.91 | CCR5 (0.77) | CCR5CYP2C9CYP2D6CXCR4 | |
| Hydrochloric Acid SCHEMBL5346132 | 0.91 | CCR5 (0.77) | CCR5CYP2C9CYP2D6CXCR4 | |
| Hydrochloric Acid SCHEMBL5611975 | 0.91 | CCR5 (0.77) | CCR5CYP2C9CYP2D6CXCR4 | |
| Hydrochloric Acid SCHEMBL6186346 | 0.89 | CCR5 (0.76) | CCR5CYP2C9CYP2D6CXCR4 | |
| SCHEMBL6012390 | 0.89 | CCR5 (0.58) | CCR5CYP2C9CYP2D6CXCR4 | |
| SCHEMBL6012393 | 0.89 | CCR5 (0.58) | CCR5CYP2C9CYP2D6CXCR4 | |
| Hydrochloric Acid SCHEMBL5612130 | 0.88 | CCR5 (0.59) | CCR5CYP2C9CYP2D6CXCR4 | |
| Hydrochloric Acid SCHEMBL5612127 | 0.88 | CCR5 (0.59) | CCR5CYP2C9CYP2D6CXCR4 | |
| SCHEMBL14404219 | 0.88 | CCR5 (0.63) | CCR5CYP2C9CYP2D6 |
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 |