Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 7/20 | 0.56 |
| ▸ | ITGA4 | P13612 | 7/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | CTSA | P10619 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL6518083 | 0.87 | ITGB1 (0.49) | ITGB1ITGA4MAPTRAB9ACTSA | |
| SCHEMBL6514208 | 0.80 | LMNA (0.47) | ITGB1ITGA4ALDH1A1MAPTRAB9A | |
| SCHEMBL5259500 | 0.75 | ITGB1 (0.50) | ITGB1ITGA4MAPTRAB9A | |
| SCHEMBL6514009 | 0.75 | ITGB1 (0.58) | ITGB1ITGA4HTTALDH1A1MAPT | |
| SCHEMBL3121622 | 0.73 | HTT (0.63) | HTTALDH1A1MAPTRAB9AMEN1 | |
| SCHEMBL6972201 | 0.73 | ITGB1 (0.66) | ITGB1ITGA4HTTALDH1A1MAPT | |
| SCHEMBL6972192 | 0.73 | ITGB1 (0.66) | ITGB1ITGA4HTTALDH1A1MAPT | |
| SCHEMBL5262207 | 0.73 | ITGB1 (0.43) | ITGB1ITGA4 | |
| SCHEMBL6512435 | 0.72 | ITGB1 (0.57) | ITGB1ITGA4HTTALDH1A1MAPT | |
| SCHEMBL5257959 | 0.72 | ITGB1 (0.49) | 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 |