Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.75 |
| ▸ | ITGAV | P06756 | 17/20 | 0.60 |
| ▸ | ITGB6 | P18564 | 14/20 | 0.60 |
| ▸ | ITGB8 | P26012 | 12/20 | 0.60 |
| ▸ | ITGB3 | P05106 | 11/20 | 0.60 |
| ▸ | ITGB5 | P18084 | 8/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL13355373 | 0.86 | CXCR4 (1.00) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355416 | 0.84 | CXCR4 (0.89) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355152 | 0.81 | ITGAV (0.57) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355505 | 0.80 | CXCR4 (0.59) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL3257558 | 0.76 | CXCR4 (0.65) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL760607 | 0.76 | ITGB3 (0.69) | ITGAVITGB6ITGB8ITGB3ITGB5 | |
| SCHEMBL13355417 | 0.75 | CXCR4 (0.63) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL22498058 | 0.74 | ITGAV (0.57) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355313 | 0.74 | CXCR4 (0.78) | CXCR4ITGAVITGB6ITGB8ITGB3 | |
| SCHEMBL13355331 | 0.74 | CXCR4 (0.75) | 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 |