Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 20/20 | 0.56 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5340811 | 0.92 | CCR5 (0.59) | CCR5CXCR4CYP2C9CYP2D6 | |
| Hydrochloric Acid SCHEMBL6010747 | 0.92 | CCR5 (0.60) | CCR5CXCR4CYP2C9 | |
| SCHEMBL5348740 | 0.91 | CCR5 (0.58) | CCR5CXCR4CYP2C9CYP2D6 | |
| Hydrochloric Acid SCHEMBL6636641 | 0.90 | CCR5 (0.58) | CCR5CXCR4CYP2C9 | |
| SCHEMBL5348443 | 0.90 | CCR5 (0.57) | CCR5CXCR4CYP2C9CYP2D6 | |
| SCHEMBL5346644 | 0.90 | CCR5 (0.69) | CCR5CXCR4CYP2C9 | |
| Hydrochloric Acid SCHEMBL6010667 | 0.89 | CCR5 (0.58) | CCR5CXCR4CYP2C9CYP2D6 | |
| Hydrochloric Acid SCHEMBL5578989 | 0.89 | CCR5 (0.70) | CCR5CXCR4CYP2C9 | |
| Hydrochloric Acid SCHEMBL5578993 | 0.89 | CCR5 (0.70) | CCR5CXCR4CYP2C9 | |
| Hydrochloric Acid SCHEMBL6637454 | 0.89 | CCR5 (0.70) | CCR5CXCR4CYP2C9 |
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 |