Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 19/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 19/20 | 0.46 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL6158937 | 1.00 | ITGB1 (0.46) | ITGB1ITGA4ITGB7HCRTR1HCRTR2 | |
| SCHEMBL6152269 | 0.92 | ITGB1 (0.51) | ITGB1ITGA4ITGB7 | |
| SCHEMBL6147979 | 0.92 | ITGB1 (0.51) | ITGB1ITGA4ITGB7 | |
| SCHEMBL6401872 | 0.92 | ITGB1 (0.51) | ITGB1ITGA4ITGB7 | |
| SCHEMBL6157260 | 0.87 | ITGB1 (0.45) | ITGB1ITGA4ITGB7HCRTR1HCRTR2 | |
| SCHEMBL6157254 | 0.87 | ITGB1 (0.45) | ITGB1ITGA4ITGB7HCRTR1HCRTR2 | |
| SCHEMBL6150480 | 0.84 | ITGB1 (0.47) | ITGB1ITGA4ITGB7HCRTR1HCRTR2 | |
| SCHEMBL6150477 | 0.84 | ITGB1 (0.47) | ITGB1ITGA4ITGB7HCRTR1HCRTR2 | |
| SCHEMBL6401850 | 0.83 | ITGB1 (0.53) | ITGB1ITGA4ITGB7 | |
| SCHEMBL6401858 | 0.83 | ITGB1 (0.53) | ITGB1ITGA4ITGB7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1495044-A1 | HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY | J. Uriach y Compania S.A. (ES) | 2005-01-12 | — | — | EP | claimed |
| WO-2003084984-A1 | HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY | J. URIACH Y COMPANIA S.A. (ES) | 2003-10-16 | — | — | WO | claimed |