Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 19/20 | 0.43 |
| ▸ | ITGAV | P06756 | 15/20 | 0.43 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.43 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7399991 | 0.85 | ITGB3 (0.38) | ITGB3ITGAVITGA2BCHRM2SLC6A4 | |
| SCHEMBL7401924 | 0.85 | ITGB3 (0.44) | ITGB3ITGAVITGB5ITGB6ITGA2B | |
| SCHEMBL7399998 | 0.83 | ITGB3 (0.51) | ITGB3ITGAVITGB5ITGB6ITGA2B | |
| SCHEMBL8549170 | 0.82 | ITGB3 (0.36) | ITGB3ITGAVITGA2BCHRM2SLC6A4 | |
| Iodide SCHEMBL7403599 | 0.79 | ITGB3 (0.49) | ITGB3ITGAVITGB5ITGB6ITGA2B | |
| SCHEMBL7405166 | 0.77 | ITGB3 (0.48) | ITGB3ITGAVITGB5ITGB6ITGA2B | |
| SCHEMBL7354614 | 0.73 | ITGB3 (0.46) | ITGB3ITGAVITGB5ITGB6ITGA2B | |
| SCHEMBL7347851 | 0.73 | ITGB3 (0.47) | ITGB3ITGAVITGA2B | |
| SCHEMBL7401916 | 0.71 | ITGB3 (0.37) | ITGB3ITGA2B | |
| SCHEMBL7401929 | 0.70 | ITGB3 (0.47) | ITGB3ITGAVITGB5ITGB6ITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996037492-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-11-28 | — | — | WO | claimed |
| WO-1996037492-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-11-28 | — | — | WO | disclosed |