Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 18/20 | 0.72 |
| ▸ | ITGA4 | P13612 | 18/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6517093 | 0.93 | ITGB1 (0.70) | ITGB1ITGA4ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL5364460 | 0.84 | ITGB1 (1.00) | ITGB1ITGA4 | |
| SCHEMBL7449206 | 0.79 | ITGB1 (0.91) | ITGB1ITGA4 | |
| SCHEMBL7104241 | 0.78 | ITGB1 (0.51) | ITGB1ITGA4 | |
| SCHEMBL7104244 | 0.78 | ITGB1 (0.51) | ITGB1ITGA4 | |
| SCHEMBL5368089 | 0.77 | ITGB1 (1.00) | ITGB1ITGA4 | |
| SCHEMBL7263470 | 0.76 | ITGB1 (0.69) | ITGB1ITGA4 | |
| SCHEMBL7263468 | 0.76 | ITGB1 (0.69) | ITGB1ITGA4 | |
| SCHEMBL6518236 | 0.75 | ITGB1 (0.52) | ITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL6509549 | 0.75 | ITGB1 (0.63) | 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 |