Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL9428964 | 0.94 | MAPK1 (0.49) | CYP1A2MAPK1TAAR1POLBTSHR | |
| SCHEMBL9429872 | 0.83 | ADRA1B (0.45) | CYP1A2MAPK1TAAR1POLBTSHR | |
| SCHEMBL9384556 | 0.82 | PKM (0.58) | CYP1A2MAPK1TAAR1POLBTSHR | |
| SCHEMBL9428569 | 0.82 | TAAR1 (0.60) | CYP1A2MAPK1TAAR1POLBTSHR | |
| SCHEMBL9387817 | 0.79 | PKM (0.56) | CYP1A2MAPK1TAAR1POLBTSHR | |
| SCHEMBL9428982 | 0.76 | ALDH1A1 (0.54) | CYP1A2MAPK1TAAR1POLBTSHR | |
| SCHEMBL9431119 | 0.76 | MAPK1 (0.49) | CYP1A2MAPK1TAAR1POLBTSHR | |
| SCHEMBL9429038 | 0.75 | MAPK1 (0.46) | CYP1A2MAPK1TAAR1POLBTSHR | |
| SCHEMBL11486280 | 0.75 | CYP1A2 (0.52) | CYP1A2MAPK1POLBTSHRNPSR1 | |
| SCHEMBL1714981 | 0.74 | HRH3 (0.54) | ALDH1A1HRH3MAPTDRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5332739-A | Pyrimidinedione derivatives and antiarrhythmic agents containing same | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1994-07-26 | — | — | US | disclosed |
| EP-0454498-A2 | Pyrimidinedione derivatives and antiarrhythmic agents containing same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-10-30 | — | — | EP | disclosed |