Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL457364 | 0.78 | ALDH1A1 (0.44) | ALDH1A1MAPK1ESR2CYP2A6BACE1 | |
| SCHEMBL4371389 | 0.78 | ESR2 (0.41) | ALDH1A1MAPK1ESR2CYP2A6CYP2B6 | |
| SCHEMBL454901 | 0.75 | ALDH1A1 (0.41) | ALDH1A1MAPK1ESR2CYP2A6BACE1 | |
| SCHEMBL12503755 | 0.75 | CYP2A6 (0.41) | ALDH1A1ESR2CYP2A6CYP2B6AKT1 | |
| SCHEMBL14675940 | 0.75 | ESR2 (0.38) | ALDH1A1MAPK1ESR2CYP2A6CYP2B6 | |
| SCHEMBL457819 | 0.75 | ESR2 (0.38) | ALDH1A1MAPK1ESR2CYP2A6CYP2B6 | |
| SCHEMBL457102 | 0.75 | ALDH1A1 (0.38) | ALDH1A1MAPK1ESR2BACE1ALOX5 | |
| SCHEMBL456629 | 0.72 | SQOR (0.39) | ALDH1A1ESR2CYP2A6CYP2B6BACE1 | |
| SCHEMBL456995 | 0.71 | ALDH1A1 (0.41) | ALDH1A1MAPK1ESR2CYP2A6CYP2B6 | |
| SCHEMBL459103 | 0.69 | ALDH1A1 (0.36) | ALDH1A1MAPK1HSD17B10HPGDKDM4E |
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 |