Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CFTR | P13569 | 1/20 | 0.30 |
| ▸ | GOPC | Q9HD26 | 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 | |
|---|---|---|---|---|
| SCHEMBL3982745 | 0.80 | ALDH1A1 (0.47) | ALDH1A1MAPK1SIGMAR1CFTRGOPC | |
| SCHEMBL17147181 | 0.77 | PTGS1 (0.43) | ALDH1A1SIGMAR1 | |
| SCHEMBL7821227 | 0.76 | CYP1A2 (0.33) | ALDH1A1SIGMAR1CFTRGOPC | |
| SCHEMBL457777 | 0.76 | ALDH1A1 (0.33) | ALDH1A1MAPK1SIGMAR1CFTRGOPC | |
| SCHEMBL455340 | 0.72 | TP53 (0.31) | ALDH1A1MAPK1 | |
| SCHEMBL14192246 | 0.70 | CYP3A4 (0.64) | ALDH1A1 | |
| SCHEMBL21625337 | 0.68 | NPC1 (0.45) | ALDH1A1 | |
| SCHEMBL457003 | 0.68 | ALDH1A1 (0.33) | ALDH1A1MAPK1SIGMAR1CFTRGOPC | |
| SCHEMBL19792116 | 0.67 | ALDH1A1 (0.36) | ALDH1A1MAPK1SIGMAR1CFTRGOPC | |
| SCHEMBL24514949 | 0.66 | ALDH1A1 (0.36) | ALDH1A1MAPK1SIGMAR1CFTRGOPC |
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 |