Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.47 |
| ▸ | ITGAV | P06756 | 14/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 9/20 | 0.46 |
| ▸ | ITGB6 | P18564 | 8/20 | 0.42 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.42 |
| ▸ | ITGB8 | P26012 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20156008 | 0.86 | ITGAV (0.53) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL20156094 | 0.85 | ITGAV (0.49) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL20156256 | 0.80 | ITGB3 (0.52) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL20156097 | 0.79 | ITGAV (0.48) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL20156253 | 0.79 | CXCR4 (0.51) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL20156248 | 0.78 | ITGAV (0.44) | CXCR4ITGAVITGB3ITGB6 | |
| SCHEMBL20156054 | 0.78 | ITGAV (0.47) | CXCR4ITGAVITGB3ITGB6 | |
| SCHEMBL20156055 | 0.78 | ITGAV (0.47) | CXCR4ITGAVITGB3ITGB6 | |
| SCHEMBL23912902 | 0.77 | ITGB3 (0.53) | CXCR4ITGAVITGB3ITGB6ITGB5 | |
| SCHEMBL20156098 | 0.76 | CXCR4 (0.47) | CXCR4ITGAVITGB3ITGB6ITGB5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3538527-B1 | AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2021-10-13 | — | — | EP | disclosed |
| WO-2018089358-A1 | AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |