Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.39 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | TYK2 | P29597 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12653047 | 0.84 | CYP2A6 (0.47) | CYP2A6TNKS2PAK1MAOBPGR | |
| SCHEMBL15060621 | 0.80 | ALOX5AP (0.46) | CYP2A6TNKS2PAK1MAOBPGR | |
| SCHEMBL23956054 | 0.78 | CSNK2A2 (0.43) | CYP2A6TNKS2PAK1MAOBTRPA1 | |
| SCHEMBL455341 | 0.77 | CRHBP (0.45) | — | |
| SCHEMBL449516 | 0.75 | ALOX5 (0.39) | PGRGSK3BJAK2AOC3 | |
| SCHEMBL27875237 | 0.75 | PDK1 (0.46) | CYP2A6TNKS2PAK1 | |
| SCHEMBL9756794 | 0.73 | CYP2A6 (0.42) | CYP2A6TNKS2PGRBACE1TRPA1 | |
| SCHEMBL3031350 | 0.73 | FASN (0.38) | — | |
| SCHEMBL1623837 | 0.71 | MAOB (0.61) | CYP2A6MAOBCSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL9288019 | 0.70 | TRPA1 (0.49) | TRPA1CSNK2A2CSNK2BCSNK2A1CSNK2A3 |
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-2614053-A1 | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012033225-A1 | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-03-15 | — | — | WO | disclosed |