Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 9/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8780782 | 0.94 | CYP2D6 (0.54) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL8780938 | 0.94 | CYP2D6 (0.55) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL8780902 | 0.90 | CYP2D6 (0.56) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL8780791 | 0.87 | CYP2D6 (0.51) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL8780892 | 0.82 | RXFP1 (0.42) | KCNH2MCHR1APPHRH3ADORA3 | |
| SCHEMBL8780789 | 0.82 | ADORA2A (0.41) | KCNH2MCHR1APPHRH3ADORA3 | |
| SCHEMBL8780829 | 0.82 | RIPK2 (0.43) | KCNH2MCHR1HRH3ADORA3ADORA2A | |
| SCHEMBL8780909 | 0.80 | KCNH2 (0.42) | KCNH2MCHR1APPHRH3ADORA3 | |
| SCHEMBL8780756 | 0.80 | ADORA3 (0.40) | CYP19A1KCNH2MCHR1ADORA3ADORA2A | |
| SCHEMBL8780837 | 0.79 | L3MBTL1 (0.45) | MCHR1HRH3ADORA3ADORA2AADORA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0697407-B1 | Pyrimidinedione derivatives and antiarrhythmic compositions containing same | MITSUI TOATSU CHEMICALS (JP) | 1997-06-25 | — | — | EP | disclosed |
| EP-0697407-A1 | Pyrimidinedione derivatives and antiarrhythmic compositions containing same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-02-21 | — | — | EP | disclosed |