Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 17/20 | 0.52 |
| ▸ | ITGA4 | P13612 | 17/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL6521584 | 0.90 | ITGB1 (0.50) | ITGB1ITGA4HDAC1LMNANPSR1 | |
| SCHEMBL6509549 | 0.83 | ITGB1 (0.63) | ITGB1ITGA4CTSA | |
| SCHEMBL6513196 | 0.79 | ITGB1 (0.53) | ITGB1ITGA4 | |
| SCHEMBL6512380 | 0.79 | ITGA4 (0.50) | ITGB1ITGA4 | |
| SCHEMBL6512302 | 0.78 | EGFR (0.47) | ITGB1ITGA4CTSALMNANPSR1 | |
| SCHEMBL6512308 | 0.78 | EGFR (0.47) | ITGB1ITGA4CTSALMNANPSR1 | |
| SCHEMBL6512464 | 0.77 | SMN1; SMN2 (0.52) | ITGB1ITGA4LMNA | |
| SCHEMBL6509698 | 0.77 | ITGB1 (0.48) | ITGB1ITGA4HDAC1 | |
| SCHEMBL6512395 | 0.76 | ITGB1 (0.49) | ITGB1ITGA4 | |
| SCHEMBL6509525 | 0.76 | ITGB1 (0.52) | ITGB1ITGA4CTSALMNA |
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 |