Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.75 |
| ▸ | ITGAV | P06756 | 12/20 | 0.55 |
| ▸ | ITGB6 | P18564 | 11/20 | 0.55 |
| ▸ | ITGB8 | P26012 | 8/20 | 0.55 |
| ▸ | RORC | P51449 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.48 |
| ▸ | ITGB5 | P18084 | 4/20 | 0.48 |
| ▸ | RAF1 | P04049 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13355204 | 0.89 | CXCR4 (0.66) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355315 | 0.87 | CXCR4 (0.64) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355373 | 0.86 | CXCR4 (1.00) | CXCR4ITGAVITGB6ITGB8RORC | |
| SCHEMBL13355324 | 0.85 | CXCR4 (0.77) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355333 | 0.84 | CXCR4 (0.67) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355326 | 0.84 | CXCR4 (0.67) | CXCR4ITGAVITGB6ITGB8RORC | |
| SCHEMBL13355313 | 0.84 | CXCR4 (0.78) | CXCR4ITGAVITGB6ITGB8RORC | |
| SCHEMBL13355453 | 0.83 | CXCR4 (0.74) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355312 | 0.83 | CXCR4 (0.66) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355309 | 0.82 | CXCR4 (0.72) | CXCR4ITGAVITGB6ITGB8ITGB3 |
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 |