Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 19/20 | 0.72 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.66 |
| ▸ | CXCR3 | P49682 | 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 | |
|---|---|---|---|---|
| SCHEMBL6611258 | 1.00 | CCR5 (0.72) | CCR5CXCR4CXCR3 | |
| SCHEMBL6611654 | 0.94 | CCR5 (0.81) | CCR5CXCR4CXCR3 | |
| SCHEMBL6616558 | 0.94 | CCR5 (0.81) | CCR5CXCR4CXCR3 | |
| SCHEMBL6614422 | 0.94 | CCR5 (0.81) | CCR5CXCR4CXCR3 | |
| SCHEMBL6615594 | 0.93 | CCR5 (0.79) | CCR5CXCR4CXCR3 | |
| SCHEMBL6613461 | 0.92 | CCR5 (0.71) | CCR5CXCR4CXCR3 | |
| SCHEMBL6615844 | 0.92 | CCR5 (0.70) | CCR5CXCR4CXCR3 | |
| SCHEMBL6613116 | 0.92 | CCR5 (0.70) | CCR5CXCR4CXCR3 | |
| SCHEMBL6610514 | 0.90 | CCR5 (0.76) | CCR5CXCR4CXCR3 | |
| SCHEMBL6615910 | 0.90 | CCR5 (0.76) | CCR5CXCR4CXCR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1236726-B1 | TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO (JP) | 2004-12-01 | — | — | EP | disclosed |
| 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 |