Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 16/20 | 0.62 |
| ▸ | ITGAV | P06756 | 16/20 | 0.62 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.55 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.53 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.48 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.48 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13355470 | 0.93 | ITGB3 (0.58) | ITGB3ITGAVITGA2BCXCR4ITGB5 | |
| SCHEMBL13355325 | 0.88 | CXCR4 (0.51) | ITGB3ITGAVITGA2BCXCR4 | |
| SCHEMBL13355417 | 0.86 | CXCR4 (0.63) | ITGB3ITGAVITGA2BCXCR4ITGB5 | |
| SCHEMBL13355375 | 0.85 | ITGAV (0.57) | ITGB3ITGAVITGA2BCXCR4ITGB5 | |
| SCHEMBL13355308 | 0.81 | SMN1; SMN2 (0.56) | ITGB3ITGAVCXCR4ITGB6 | |
| SCHEMBL6422749 | 0.77 | ITGAV (1.00) | ITGB3ITGAVITGA2BITGB6 | |
| SCHEMBL6422836 | 0.77 | ITGAV (1.00) | ITGB3ITGAVITGA2BITGB6 | |
| SCHEMBL6422753 | 0.77 | ITGAV (1.00) | ITGB3ITGAVITGA2BITGB6 | |
| SCHEMBL6420967 | 0.77 | ITGAV (1.00) | ITGB3ITGAVITGA2BITGB6 | |
| SCHEMBL6421698 | 0.77 | ITGAV (1.00) | ITGB3ITGAVITGA2BITGB6 |
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 |