Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8780823 | 0.90 | CYP2D6 (0.53) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL8780791 | 0.88 | CYP2D6 (0.51) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL8780782 | 0.88 | CYP2D6 (0.54) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL8780938 | 0.85 | CYP2D6 (0.55) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL8780781 | 0.80 | LTA4H (0.46) | KCNH2MCHR1 | |
| SCHEMBL8780990 | 0.80 | KCNH2 (0.39) | KCNH2MCHR1 | |
| SCHEMBL8781045 | 0.78 | MAOB (0.49) | — | |
| SCHEMBL8780850 | 0.77 | KCNH2 (0.59) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL8780927 | 0.77 | KCNH2 (0.58) | ADRB1KCNH2 | |
| SCHEMBL14129849 | 0.74 | CYP2D6 (1.00) | CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4 |
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 |