Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.67 |
| ▸ | ITGAV | P06756 | 13/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 12/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | ITGB6 | P18564 | 5/20 | 0.44 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.44 |
| ▸ | ITGB8 | P26012 | 3/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
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 | 0.87 | CXCR4 (0.66) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355312 | 0.87 | CXCR4 (0.66) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355324 | 0.87 | CXCR4 (0.77) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355336 | 0.85 | CXCR4 (0.72) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355315 | 0.85 | CXCR4 (0.64) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355309 | 0.84 | CXCR4 (0.72) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355331 | 0.84 | CXCR4 (0.75) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355450 | 0.84 | CXCR4 (0.69) | CXCR4ITGAVITGB3EPHX2ITGB6 | |
| SCHEMBL13355314 | 0.83 | CXCR4 (0.66) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355310 | 0.82 | CXCR4 (0.80) | CXCR4ITGAVITGB3ITGB6ITGB5 |
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 |