Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.59 |
| ▸ | ITGB3 | P05106 | 12/20 | 0.50 |
| ▸ | ITGAV | P06756 | 12/20 | 0.50 |
| ▸ | CCR2 | P41597 | 2/20 | 0.48 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13355494 | 0.90 | CXCR4 (0.60) | CXCR4ITGB3ITGAVITGB5ITGA2B | |
| SCHEMBL13355497 | 0.86 | CXCR4 (0.55) | CXCR4ITGB3ITGAVITGB5ITGA2B | |
| SCHEMBL13355507 | 0.86 | CXCR4 (0.53) | CXCR4ITGB3ITGAVITGB5ITGA2B | |
| SCHEMBL13355499 | 0.86 | CXCR4 (0.53) | CXCR4ITGB3ITGAVITGB5ITGB6 | |
| SCHEMBL13355496 | 0.84 | CXCR4 (0.61) | CXCR4ITGB3ITGAVITGB5ITGA2B | |
| SCHEMBL13355150 | 0.83 | CXCR4 (0.68) | CXCR4ITGB3ITGAVITGB5ITGB6 | |
| SCHEMBL13355502 | 0.77 | CXCR4 (0.68) | CXCR4ITGB3ITGAVITGB5ITGA2B | |
| SCHEMBL13355323 | 0.77 | CXCR4 (0.70) | CXCR4ITGB3ITGAVITGB5ITGA2B | |
| SCHEMBL13355352 | 0.76 | CXCR4 (0.67) | CXCR4ITGB3ITGAVITGB5ITGA2B | |
| SCHEMBL13355363 | 0.76 | CXCR4 (0.51) | CXCR4ITGB3ITGAVCCR2ITGB5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010057101-A2 | COMPOUNDS USEFUL AS HIV BLOCKERS | SCHERING CORPORATION (US) | 2010-05-20 | — | — | WO | disclosed |