Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 4/20 | 0.52 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.44 |
| ▸ | FPR2 | P25090 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6520277 | 0.94 | ITGB1 (0.51) | ITGB1ITGA4POLBMAPTCYP26A1 | |
| SCHEMBL6509549 | 0.89 | ITGB1 (0.63) | ITGB1ITGA4CTSA | |
| SCHEMBL6513196 | 0.83 | ITGB1 (0.53) | ITGB1ITGA4KMT2A | |
| SCHEMBL6512380 | 0.80 | ITGA4 (0.50) | ITGB1ITGA4 | |
| SCHEMBL6512395 | 0.79 | ITGB1 (0.49) | ITGB1ITGA4KMT2A | |
| SCHEMBL6518236 | 0.79 | ITGB1 (0.52) | ITGB1ITGA4LMNARAB9ACTSA | |
| SCHEMBL6512464 | 0.78 | SMN1; SMN2 (0.52) | ITGB1ITGA4LMNA | |
| SCHEMBL6517070 | 0.78 | ITGB3 (0.46) | ITGB1ITGA4 | |
| SCHEMBL6513307 | 0.78 | ITGB1 (0.48) | ITGB1ITGA4CYP26A1MEN1KMT2A | |
| SCHEMBL6518082 | 0.77 | ITGB1 (0.57) | 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 |