Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.36 |
| ▸ | CTRC | Q99895 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21053453 | 0.81 | CSNK2A1 (0.47) | CYP2A6CSNK2A1CTRCTP53DPP4 | |
| SCHEMBL456470 | 0.81 | TP53 (0.34) | CYP2A6CSNK2A1TP53HTR7ESR2 | |
| SCHEMBL456112 | 0.79 | ESR2 (0.36) | CYP2A6TP53HTR7ESR2PDCD1 | |
| SCHEMBL456618 | 0.78 | ALDH1A1 (0.38) | TP53HTR7ESR2PDCD1CD274 | |
| SCHEMBL457437 | 0.75 | ADORA3 (0.33) | TP53HTR7ADORA3ADORA2AADORA1 | |
| SCHEMBL6206554 | 0.75 | CYP2A6 (0.41) | CYP2A6CSNK2A1CTRCESR2CYP1A2 | |
| SCHEMBL455996 | 0.74 | CYP2A6 (0.38) | CYP2A6CSNK2A1CTRCTP53HTR7 | |
| SCHEMBL456350 | 0.74 | CYP2A6 (0.44) | CYP2A6CSNK2A1CTRCESR2CYP1A2 | |
| SCHEMBL15063909 | 0.71 | — | — | |
| SCHEMBL7814278 | 0.71 | CYP2A6 (0.41) | CYP2A6CSNK2A1CTRCESR2CYP1A2 |
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 |