Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 19/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 19/20 | 0.46 |
| ▸ | C1R | P00736 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2437908 | 0.92 | ITGB1 (0.46) | ITGB1ITGA4C1R | |
| SCHEMBL2435428 | 0.90 | KCNH2 (0.43) | ITGB1ITGA4C1R | |
| SCHEMBL2429568 | 0.82 | ITGB1 (0.46) | ITGB1ITGA4C1R | |
| SCHEMBL14591735 | 0.81 | ITGB1 (0.54) | ITGB1ITGA4 | |
| SCHEMBL2430466 | 0.81 | ITGB1 (0.45) | ITGB1ITGA4 | |
| SCHEMBL2432759 | 0.81 | ITGB1 (0.58) | ITGB1ITGA4 | |
| SCHEMBL2433113 | 0.80 | C1R (0.46) | ITGB1ITGA4C1R | |
| SCHEMBL14592211 | 0.77 | ITGB1 (0.58) | ITGB1ITGA4 | |
| SCHEMBL2434752 | 0.77 | CXCL8 (0.44) | ITGB1ITGA4C1R | |
| SCHEMBL14591703 | 0.76 | ITGB1 (0.46) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1346982-B1 | VLA-4 INHIBITORS | DAIICHI SEIYAKU CO (JP) | 2011-09-14 | — | — | EP | disclosed |