Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CTRC | Q99895 | 2/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL456350 | 0.78 | CYP2A6 (0.44) | CYP2A6CTRCCSNK2A1CYP1A2BACE1 | |
| SCHEMBL456303 | 0.78 | BACE1 (0.36) | CYP2A6CTRCBACE1ALOX5ALDH1A1 | |
| SCHEMBL7814278 | 0.75 | CYP2A6 (0.41) | CYP2A6CTRCCSNK2A1CYP1A2BACE1 | |
| SCHEMBL455502 | 0.75 | BACE1 (0.33) | CYP2A6CYP1A2BACE1ALOX5ALDH1A1 | |
| SCHEMBL6206554 | 0.75 | CYP2A6 (0.41) | CYP2A6CTRCCSNK2A1CYP1A2BACE1 | |
| SCHEMBL454901 | 0.75 | ALDH1A1 (0.41) | CYP2A6CTRCCSNK2A1CYP1A2BACE1 | |
| SCHEMBL457819 | 0.75 | ESR2 (0.38) | CYP2A6BACE1ALOX5ALDH1A1HSD17B10 | |
| SCHEMBL454501 | 0.71 | TP53 (0.32) | BACE1ALOX5ESR2 | |
| SCHEMBL21053453 | 0.71 | CSNK2A1 (0.47) | CYP2A6CTRCCSNK2A1ALDH1A1HSD17B10 | |
| SCHEMBL456752 | 0.71 | CYP2A6 (0.38) | CYP2A6CTRCCSNK2A1CYP1A2BACE1 |
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 |