Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 5/20 | 0.48 |
| ▸ | HRH1 | P35367 | 5/20 | 0.48 |
| ▸ | DRD2 | P14416 | 4/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.48 |
| ▸ | DRD3 | P35462 | 3/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.48 |
| ▸ | HTR2B | P41595 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9429697 | 0.87 | DRD2 (0.57) | KDM4ECYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9428336 | 0.86 | HRH1 (0.48) | CYP3A4CYP2C9CYP2C19MEN1ALDH1A1 | |
| SCHEMBL9429005 | 0.86 | CYP2C19 (0.53) | CYP3A4CYP2C9CYP2C19MEN1ALDH1A1 | |
| SCHEMBL9428130 | 0.86 | ALDH1A1 (0.47) | CYP3A4CYP2C9CYP2C19MEN1ALDH1A1 | |
| SCHEMBL9428827 | 0.85 | MEN1 (0.55) | CYP3A4CYP2C9CYP2C19MEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9429317 | 0.85 | CYP2C19 (0.52) | CYP3A4CYP2C9CYP2C19MEN1ALDH1A1 | |
| SCHEMBL9428373 | 0.85 | DRD2 (0.58) | MEN1ALDH1A1KMT2AHTR1AHRH1 | |
| SCHEMBL9429006 | 0.84 | HRH1 (0.60) | KDM4EMEN1ALDH1A1KMT2AHTR1A | |
| SCHEMBL9428341 | 0.84 | ADRA1A (0.48) | CYP3A4CYP2C9CYP2C19MEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9428467 | 0.84 | DRD2 (0.57) | MEN1ALDH1A1KMT2AHTR1AHRH1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4013669-A | — | — | None | — | — | JP | disclosed |
| US-5332739-A | Pyrimidinedione derivatives and antiarrhythmic agents containing same | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1994-07-26 | — | — | US | disclosed |
| JP-H0413669-A | NOVEL PYRIMIDINEDIONE DERIVATIVE AND ANTIARRHYTHMIC AGENT CONTAINING THE COMPOUND | MITSUI TOATSU CHEM INC | 1992-01-17 | — | — | JP | disclosed |
| EP-0454498-A2 | Pyrimidinedione derivatives and antiarrhythmic agents containing same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-10-30 | — | — | EP | disclosed |