Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 20/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 19/20 | 0.38 |
| ▸ | ITGAV | P06756 | 3/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8549170 | 0.88 | ITGB3 (0.36) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| SCHEMBL7404005 | 0.86 | ITGB3 (0.38) | ITGB3ITGA2BITGAV | |
| SCHEMBL7399995 | 0.85 | ITGB3 (0.43) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| SCHEMBL7980585 | 0.81 | ITGB3 (0.45) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| SCHEMBL8643483 | 0.72 | SMPD1 (0.31) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| SCHEMBL7403042 | 0.72 | ITGB3 (0.42) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| SCHEMBL7401924 | 0.71 | ITGB3 (0.44) | ITGB3ITGA2BITGAV | |
| SCHEMBL7346797 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL7403041 | 0.70 | ITGB3 (0.42) | ITGB3ITGA2BITGAVCHRM2SLC6A4 | |
| SCHEMBL7349047 | 0.69 | ITGB3 (0.35) | ITGB3ITGA2BITGAVCHRM2SLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0828737-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-03-18 | — | — | EP | claimed |
| WO-1996037492-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-11-28 | — | — | WO | claimed |
| EP-0828737-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-03-18 | — | — | EP | disclosed |
| WO-1996037492-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-11-28 | — | — | WO | disclosed |