Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 14/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 12/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.41 |
| ▸ | CRACR2A | Q9BSW2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6512464 | 0.93 | SMN1; SMN2 (0.52) | SMN1; SMN2ITGA4ITGB1ITGB3ITGA2B | |
| SCHEMBL6512385 | 0.90 | SMN1; SMN2 (0.47) | SMN1; SMN2ITGA4ITGB1ITGB3ITGA2B | |
| SCHEMBL6512380 | 0.89 | ITGA4 (0.50) | SMN1; SMN2ITGA4ITGB1ITGB3ITGA2B | |
| SCHEMBL6517070 | 0.84 | ITGB3 (0.46) | SMN1; SMN2ITGA4ITGB1ITGB3ITGA2B | |
| SCHEMBL6509549 | 0.81 | ITGB1 (0.63) | ITGA4ITGB1 | |
| SCHEMBL6529457 | 0.81 | SMN1; SMN2 (0.59) | SMN1; SMN2ITGA4ITGB1ITGB3ITGA2B | |
| SCHEMBL6513196 | 0.79 | ITGB1 (0.53) | ITGA4ITGB1 | |
| SCHEMBL6520158 | 0.77 | ITGA4 (0.43) | ITGA4ITGB1 | |
| SCHEMBL6512395 | 0.76 | ITGB1 (0.49) | ITGA4ITGB1 | |
| SCHEMBL7104363 | 0.74 | ITGB1 (0.69) | 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 |