Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 5/20 | 0.48 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP26A1 | O43174 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6509549 | 0.85 | ITGB1 (0.63) | ITGB1ITGA4 | |
| SCHEMBL6513196 | 0.79 | ITGB1 (0.53) | ITGB1ITGA4KMT2A | |
| SCHEMBL6509525 | 0.78 | ITGB1 (0.52) | ITGB1ITGA4CYP26A1MEN1KMT2A | |
| SCHEMBL6520277 | 0.78 | ITGB1 (0.51) | ITGB1ITGA4CYP26A1MEN1KMT2A | |
| SCHEMBL6518236 | 0.77 | ITGB1 (0.52) | ITGB1ITGA4TSHR | |
| SCHEMBL6513277 | 0.76 | ITGB1 (0.46) | ITGB1ITGA4CYP26A1 | |
| SCHEMBL6518082 | 0.76 | ITGB1 (0.57) | ITGB1ITGA4 | |
| SCHEMBL6520295 | 0.76 | ITGB1 (0.48) | ITGB1ITGA4GAAALDH1A1KDM4E | |
| SCHEMBL6512395 | 0.76 | ITGB1 (0.49) | ITGB1ITGA4KMT2A | |
| SCHEMBL6512380 | 0.75 | ITGA4 (0.50) | 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 |
|---|---|---|---|---|---|---|---|
| US-6953798-B1 | β-alanine derivates | CELLTECH R&D LIMITED (GB) | 2005-10-11 | — | — | US | disclosed |