Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 19/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 14/20 | 0.43 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL6512380 | 0.81 | ITGA4 (0.50) | ITGA4ITGB1 | |
| SCHEMBL6509549 | 0.80 | ITGB1 (0.63) | ITGA4ITGB1 | |
| SCHEMBL6512464 | 0.80 | SMN1; SMN2 (0.52) | ITGA4ITGB1 | |
| SCHEMBL6512385 | 0.79 | SMN1; SMN2 (0.47) | ITGA4ITGB1 | |
| SCHEMBL6513196 | 0.78 | ITGB1 (0.53) | ITGA4ITGB1 | |
| SCHEMBL6517070 | 0.77 | ITGB3 (0.46) | ITGA4ITGB1 | |
| SCHEMBL6510704 | 0.77 | SMN1; SMN2 (0.47) | ITGA4ITGB1 | |
| SCHEMBL6520295 | 0.75 | ITGB1 (0.48) | ITGA4ITGB1 | |
| SCHEMBL6512395 | 0.75 | ITGB1 (0.49) | ITGA4ITGB1 | |
| SCHEMBL7431629 | 0.73 | ITGB1 (0.61) | ITGA4ITGB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6953798-B1 | β-alanine derivates | CELLTECH R&D LIMITED (GB) | 2005-10-11 | — | — | US | disclosed |