Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 15/20 | 0.55 |
| ▸ | ITGAV | P06756 | 15/20 | 0.55 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.55 |
| ▸ | ITGB5 | P18084 | 6/20 | 0.49 |
| ▸ | ITGB6 | P18564 | 6/20 | 0.49 |
| ▸ | ITGB8 | P26012 | 6/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13355391 | 0.84 | ITGB3 (0.65) | ITGB3ITGAVCXCR4ITGB5ITGB6 | |
| SCHEMBL3143058 | 0.83 | CXCR4 (0.62) | ITGB3ITGAVCXCR4ITGB5ITGB6 | |
| SCHEMBL13355445 | 0.80 | ITGAV (0.55) | ITGB3ITGAVCXCR4ITGB5ITGB6 | |
| SCHEMBL13355441 | 0.79 | ITGB3 (0.58) | ITGB3ITGAVCXCR4ITGB5ITGB6 | |
| SCHEMBL13355502 | 0.75 | CXCR4 (0.68) | ITGB3ITGAVCXCR4ITGB5ITGB6 | |
| SCHEMBL13355501 | 0.75 | CXCR4 (0.57) | ITGB3ITGAVCXCR4ITGB5ITGB6 | |
| SCHEMBL13355504 | 0.75 | CXCR4 (0.62) | ITGB3ITGAVCXCR4ITGB5ITGB6 | |
| SCHEMBL13355212 | 0.72 | CXCR4 (0.72) | ITGB3ITGAVCXCR4ITGB5ITGB6 | |
| SCHEMBL13355434 | 0.72 | CXCR4 (0.57) | ITGB3ITGAVCXCR4ITGB5ITGB6 | |
| SCHEMBL1816814 | 0.72 | ITGB3 (0.55) | ITGB3ITGAVCXCR4ITGB5ITGB6 |
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 |