Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 18/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.42 |
| ▸ | YAP1 | P46937 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6562500 | 1.00 | ITGA4 (0.42) | ITGA4ITGB1YAP1PPARG | |
| SCHEMBL6563306 | 0.90 | ITGA4 (0.47) | ITGA4ITGB1PPARG | |
| SCHEMBL6563309 | 0.90 | ITGA4 (0.47) | ITGA4ITGB1PPARG | |
| SCHEMBL6562552 | 0.86 | ITGB1 (0.46) | ITGA4ITGB1 | |
| SCHEMBL6562545 | 0.86 | ITGB1 (0.46) | ITGA4ITGB1 | |
| SCHEMBL6561242 | 0.85 | ITGA4 (0.53) | ITGA4ITGB1 | |
| SCHEMBL6561247 | 0.85 | ITGA4 (0.53) | ITGA4ITGB1 | |
| SCHEMBL6562539 | 0.76 | ITGB1 (0.51) | ITGA4ITGB1 | |
| SCHEMBL6562533 | 0.76 | ITGB1 (0.51) | ITGA4ITGB1 | |
| SCHEMBL7098578 | 0.72 | ITGA4 (0.50) | ITGA4ITGB1YAP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1144365-B1 | INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION | TANABE SEIYAKU CO (JP) | 2004-03-17 | — | — | EP | disclosed |