Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 15/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 12/20 | 0.41 |
| ▸ | ITGB6 | P18564 | 7/20 | 0.41 |
| ▸ | ITGB5 | P18084 | 4/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20139919 | 0.83 | ITGAV (0.46) | ITGAVITGB3ITGB6ITGB5ITGB1 | |
| SCHEMBL30335954 | 0.82 | ITGAV (0.47) | ITGAVITGB3ITGB6ITGB5ITGB1 | |
| SCHEMBL7007445 | 0.82 | ITGAV (0.47) | ITGAVITGB3ITGB6ITGB5ITGB1 | |
| SCHEMBL22893988 | 0.81 | ITGAV (0.46) | ITGAVITGB3ITGB6ITGB5ITGB1 | |
| Hydrochloric Acid SCHEMBL20481212 | 0.81 | ITGAV (0.47) | ITGAVITGB3ITGB6ITGB5ITGB1 | |
| SCHEMBL20141573 | 0.80 | ITGAV (0.44) | ITGAVITGB3ITGB6ITGB5ITGB1 | |
| SCHEMBL7684093 | 0.80 | ITGAV (0.44) | ITGAVITGB3ITGB6ITGB5ITGB1 | |
| SCHEMBL7005713 | 0.78 | ITGAV (0.41) | ITGAVITGB3ITGB6ITGB5ITGB1 | |
| SCHEMBL20141145 | 0.77 | ITGAV (0.41) | ITGAVITGB3ITGB6ITGB5ITGB1 | |
| SCHEMBL12895016 | 0.77 | ITGAV (0.47) | ITGAVITGB3ITGB6ITGB5CXCR4 |
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-2018089355-A1 | CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |