Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 18/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 12/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.53 |
| ▸ | ITGB6 | P18564 | 7/20 | 0.46 |
| ▸ | ITGB8 | P26012 | 3/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.46 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8333656 | 0.97 | ITGAV (0.55) | ITGAVITGB3ITGA2BITGB6ITGB8 | |
| SCHEMBL22223273 | 0.84 | ITGAV (0.54) | ITGAVITGB3ITGA2BITGB6ITGB8 | |
| SCHEMBL7912505 | 0.82 | ITGB3 (0.61) | ITGAVITGB3ITGA2B | |
| SCHEMBL22008432 | 0.80 | ITGAV (0.44) | ITGAVITGB3ITGA2BITGB6ITGB8 | |
| SCHEMBL5252354 | 0.79 | ITGAV (0.53) | ITGAVITGB3ITGA2BITGB6ITGB8 | |
| SCHEMBL20481302 | 0.79 | ITGAV (0.50) | ITGAVITGB3ITGB6ITGB8ITGB1 | |
| SCHEMBL6265738 | 0.78 | ITGAV (0.56) | ITGAVITGB3ITGA2BITGB6ITGB8 | |
| SCHEMBL20480980 | 0.77 | ITGAV (0.45) | ITGAVITGB3ITGA2BITGB6ITGB8 | |
| SCHEMBL6222088 | 0.77 | ITGAV (0.47) | ITGAVITGB3ITGA2BITGB6ITGB8 | |
| SCHEMBL19809630 | 0.77 | ITGAV (0.61) | ITGAVITGB3ITGA2BITGB6ITGB8 |
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 |
|---|---|---|---|---|---|---|---|
| US-6211184-B1 | TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS | MERCK & CO., INC. | 2001-04-03 | — | — | US | disclosed |