Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.72 |
| ▸ | ITGAV | P06756 | 13/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.50 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.50 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.50 |
| ▸ | ITGA5 | P08648 | 4/20 | 0.49 |
| ▸ | ITGB6 | P18564 | 6/20 | 0.48 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.47 |
| ▸ | ITGB8 | P26012 | 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 | |
|---|---|---|---|---|
| SCHEMBL13355328 | 0.90 | CXCR4 (0.77) | CXCR4ITGAVITGB3ITGB1ITGA4 | |
| SCHEMBL13355451 | 0.90 | CXCR4 (0.73) | CXCR4ITGAVITGB3ITGB1ITGA4 | |
| SCHEMBL13355413 | 0.87 | CXCR4 (0.69) | CXCR4ITGAVITGB3ITGB1ITGA4 | |
| SCHEMBL13355450 | 0.87 | CXCR4 (0.69) | CXCR4ITGAVITGB3ITGB1ITGA4 | |
| SCHEMBL13355324 | 0.86 | CXCR4 (0.77) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355333 | 0.85 | CXCR4 (0.67) | CXCR4ITGAVITGB3ITGB1ITGB6 | |
| SCHEMBL13355454 | 0.83 | CXCR4 (1.00) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355329 | 0.83 | CXCR4 (0.64) | CXCR4ITGAVITGB3ITGB1ITGA4 | |
| SCHEMBL13355453 | 0.83 | CXCR4 (0.74) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL13355314 | 0.83 | CXCR4 (0.66) | CXCR4ITGAVITGB3ITGB1ITGA4 |
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 |