Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.62 |
| ▸ | ITGAV | P06756 | 12/20 | 0.56 |
| ▸ | ITGB6 | P18564 | 8/20 | 0.56 |
| ▸ | ITGB8 | P26012 | 7/20 | 0.56 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.56 |
| ▸ | ITGB5 | P18084 | 5/20 | 0.56 |
| ▸ | RORC | P51449 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL13355446 | 0.83 | ITGB3 (0.55) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355496 | 0.83 | CXCR4 (0.61) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355445 | 0.81 | ITGAV (0.55) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355441 | 0.79 | ITGB3 (0.58) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355375 | 0.77 | ITGAV (0.57) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355502 | 0.76 | CXCR4 (0.68) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355313 | 0.75 | CXCR4 (0.78) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL1816814 | 0.75 | ITGB3 (0.55) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355453 | 0.74 | CXCR4 (0.74) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355447 | 0.74 | ITGAV (0.59) | 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 2 patents. 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 |
| WO-2010057101-A2 | COMPOUNDS USEFUL AS HIV BLOCKERS | SCHERING CORPORATION (US) | 2010-05-20 | — | — | WO | disclosed |