Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 3/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | AOC1 | P19801 | 5/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 5/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30489352 | 0.90 | AOC1 (0.39) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL877689 | 0.83 | CYP2E1 (0.48) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL11564155 | 0.81 | CYP2E1 (0.47) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL22905229 | 0.78 | CYP11B1 (0.44) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL12870192 | 0.78 | AOC1 (0.36) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL23488918 | 0.77 | CYP2E1 (0.39) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL9846259 | 0.77 | CYP2E1 (0.36) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL9588627 | 0.77 | KCNA5 (0.45) | CYP2D6CYP2C19CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL20626103 | 0.76 | AOC1 (0.35) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL23974848 | 0.76 | ALOX5 (0.33) | AOC1AOC3LOXL2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009057827-A1 | PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2009-05-07 | — | — | WO | disclosed |