Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CTSA | P10619 | 4/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | SGK1 | O00141 | 1/20 | 0.40 |
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 | 0.79 | ITGB1 (0.63) | CTSAITGB1ITGA4 | |
| SCHEMBL6520277 | 0.78 | ITGB1 (0.51) | MAPTHTTLMNACTSAITGB1 | |
| SCHEMBL6509525 | 0.74 | ITGB1 (0.52) | MAPK1MAPTHTTLMNACTSA | |
| SCHEMBL6513196 | 0.71 | ITGB1 (0.53) | ITGB1ITGA4 | |
| SCHEMBL5926476 | 0.71 | ACLY (0.52) | HPGDCTSACYP26A1 | |
| SCHEMBL6512395 | 0.70 | ITGB1 (0.49) | ITGB1ITGA4 | |
| SCHEMBL6518236 | 0.70 | ITGB1 (0.52) | SMN1; SMN2LMNACTSAITGB1ITGA4 | |
| SCHEMBL6513307 | 0.69 | ITGB1 (0.48) | HPGDALDH1A1ITGB1ITGA4GAA | |
| SCHEMBL6512380 | 0.69 | ITGA4 (0.50) | SMN1; SMN2ITGB1ITGA4 | |
| SCHEMBL6514009 | 0.68 | ITGB1 (0.58) | ALDH1A1SMN1; SMN2MAPTHTTITGB1 |
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 |