Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.47 |
| ▸ | BRD9 | Q9H8M2 | 4/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | BPTF | Q12830 | 1/20 | 0.40 |
| ▸ | PDE9A | O76083 | 1/20 | 0.39 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9726399 | 0.91 | BRD4 (0.49) | BRD4BRD9GRM2ROCK2ROCK1 | |
| SCHEMBL9726443 | 0.88 | BACE1 (0.43) | BRD4BRD9GRM2BACE1ROCK2 | |
| SCHEMBL9726627 | 0.88 | BRD4 (0.52) | BRD4BRD9GRM2BACE1ROCK2 | |
| SCHEMBL9726550 | 0.81 | PDE5A (0.41) | BRD4BRD9APAF1 | |
| SCHEMBL9726581 | 0.80 | BRD4 (0.54) | BRD4BRD9GRM2ROCK2ROCK1 | |
| SCHEMBL9726483 | 0.80 | BRD4 (0.41) | BRD4BRD9GRM2ROCK2ROCK1 | |
| SCHEMBL9726558 | 0.77 | PDE9A (0.49) | BRD4BRD9GRM2BPTFPDE9A | |
| SCHEMBL9726418 | 0.74 | KDM4E (0.46) | BRD4BRD9APAF1L3MBTL1 | |
| SCHEMBL10601520 | 0.72 | BRD4 (0.74) | BRD4BRD9CYP3A4BPTFKAT2B | |
| SCHEMBL9726545 | 0.70 | PDE5A (0.41) | CYP3A4APAF1L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5098900-A | Reducing contractions in smooth muscles | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1992-03-24 | — | — | US | disclosed |
| EP-0186817-B1 | 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1989-08-02 | — | — | EP | disclosed |
| EP-0186817-A1 | 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1986-07-09 | — | — | EP | disclosed |