Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CTRC | Q99895 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL455996 | 0.86 | CYP2A6 (0.38) | CYP2A6CSNK2A1ADORA3ADORA2AADORA1 | |
| SCHEMBL458760 | 0.81 | ESR2 (0.34) | CYP2A6ADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL457803 | 0.79 | ADORA3 (0.33) | CSNK2A1ADORA3ADORA2AADORA1ALDH1A1 | |
| SCHEMBL457437 | 0.79 | ADORA3 (0.33) | ADORA3ADORA2AADORA1ALDH1A1HPGD | |
| SCHEMBL457181 | 0.77 | ADRB2 (0.33) | ADORA3ADORA2AADORA1ALDH1A1ADRB2 | |
| SCHEMBL12503755 | 0.72 | CYP2A6 (0.41) | CYP2A6CSNK2A1CTRCALDH1A1HPGD | |
| SCHEMBL456350 | 0.71 | CYP2A6 (0.44) | CYP2A6CSNK2A1CTRCALDH1A1HPGD | |
| SCHEMBL4155256 | 0.71 | PSMB5 (0.38) | PSMB5 | |
| SCHEMBL10886368 | 0.71 | CNR1 (0.38) | HSD17B10NPC1RAB9A | |
| SCHEMBL455577 | 0.68 | ALDH1A1 (0.41) | CYP2A6CSNK2A1CTRCALDH1A1HPGD |
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 |