Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.39 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10311690 | 0.87 | ALDH1A1 (0.55) | ALDH1A1MAPK1LMNACHRNB2CHRNA3 | |
| SCHEMBL12741548 | 0.81 | CHRNB2 (0.42) | ALDH1A1MAPK1LMNACHRNB2CHRNA3 | |
| SCHEMBL12430299 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MAPK1CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL14348127 | 0.78 | ALDH1A1 (0.44) | ALDH1A1MAPK1LMNACHRNB2CHRNA3 | |
| SCHEMBL25919918 | 0.77 | BCHE (0.47) | ALDH1A1CHRNB2CHRNA3CHRNA4CHRNB3 | |
| SCHEMBL12788623 | 0.77 | ALDH1A1 (0.42) | ALDH1A1MAPK1LMNAGLAHSD17B10 | |
| SCHEMBL18610409 | 0.76 | GAA (0.46) | ALDH1A1MAPK1LMNACHRNB2CHRNA3 | |
| SCHEMBL12413686 | 0.76 | CHRNB2 (0.43) | ALDH1A1LMNACHRNB2CHRNA3CHRNA4 | |
| SCHEMBL478900 | 0.76 | CHRNB2 (0.43) | ALDH1A1MAPK1LMNACHRNB2CHRNA3 | |
| SCHEMBL12414281 | 0.76 | CHRNB2 (0.43) | ALDH1A1LMNACHRNB2CHRNA3CHRNA4 |
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-9586956-B2 | Isoquinoline and naphthyridine derivatives | GENENTECH, INC. (US) | 2017-03-07 | — | — | US | disclosed |