Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 18/20 | 0.63 |
| ▸ | ITGA4 | P13612 | 18/20 | 0.63 |
| ▸ | CTSA | P10619 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6513196 | 0.91 | ITGB1 (0.53) | ITGB1ITGA4 | |
| SCHEMBL6509525 | 0.89 | ITGB1 (0.52) | ITGB1ITGA4CTSA | |
| SCHEMBL6520277 | 0.89 | ITGB1 (0.51) | ITGB1ITGA4CTSA | |
| SCHEMBL6518236 | 0.89 | ITGB1 (0.52) | ITGB1ITGA4CTSA | |
| SCHEMBL6512380 | 0.88 | ITGA4 (0.50) | ITGB1ITGA4 | |
| SCHEMBL6518082 | 0.87 | ITGB1 (0.57) | ITGB1ITGA4 | |
| SCHEMBL6512395 | 0.87 | ITGB1 (0.49) | ITGB1ITGA4 | |
| SCHEMBL6514009 | 0.86 | ITGB1 (0.58) | ITGB1ITGA4 | |
| SCHEMBL6512464 | 0.86 | SMN1; SMN2 (0.52) | ITGB1ITGA4 | |
| SCHEMBL6513307 | 0.85 | ITGB1 (0.48) | ITGB1ITGA4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6953798-B1 | β-alanine derivates | CELLTECH R&D LIMITED (GB) | 2005-10-11 | — | — | US | claimed |
| EP-1135371-A1 | BETA-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2001-09-26 | — | — | EP | claimed |
| WO-2000032575-A1 | β-ALANINE DERIVATIVES AS α4 INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-06-08 | — | — | WO | claimed |
| US-6953798-B1 | β-alanine derivates | CELLTECH R&D LIMITED (GB) | 2005-10-11 | — | — | US | disclosed |
| EP-1135371-A1 | BETA-ALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000032575-A1 | β-ALANINE DERIVATIVES AS α4 INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-06-08 | — | — | WO | disclosed |