Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 17/20 | 0.57 |
| ▸ | ITGAV | P06756 | 17/20 | 0.57 |
| ▸ | ITGB6 | P18564 | 10/20 | 0.57 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.51 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.51 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 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 | |
|---|---|---|---|---|
| SCHEMBL13355468 | 0.89 | ITGB3 (0.53) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| SCHEMBL13355327 | 0.83 | CXCR4 (0.68) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| SCHEMBL3146944 | 0.79 | NPC1 (0.41) | ITGB3ITGAVITGB6 | |
| SCHEMBL1816814 | 0.78 | ITGB3 (0.55) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| SCHEMBL12655645 | 0.77 | ITGB3 (0.49) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| SCHEMBL12655643 | 0.74 | CXCR4 (0.49) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| SCHEMBL13355335 | 0.74 | CXCR4 (0.72) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| Hydrochloric Acid SCHEMBL8454854 | 0.73 | ITGAV (0.55) | ITGB3ITGAVITGB6ITGB5ITGA2B | |
| SCHEMBL13355380 | 0.72 | CXCR4 (0.68) | ITGB3ITGAVITGB6ITGB5ITGB8 | |
| SCHEMBL13355455 | 0.72 | CXCR4 (0.70) | ITGB3ITGAVITGB6ITGB5ITGB8 |
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 |