Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CETP | P11597 | 8/20 | 0.41 |
| ▸ | MME | P08473 | 3/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18584058 | 0.90 | BLM (0.38) | CYP2C19CETPMMEBLMCYP2D6 | |
| SCHEMBL2917413 | 0.85 | TBXAS1 (0.47) | CYP2C19CETPMMETBXAS1BLM | |
| SCHEMBL6798544 | 0.85 | CETP (0.45) | CYP2C19CETPMMETBXAS1BLM | |
| SCHEMBL28280588 | 0.85 | CYP2C19 (0.47) | CYP2C19CETPMMETBXAS1BLM | |
| SCHEMBL5670213 | 0.82 | CETP (0.40) | CYP2C19CETPMMELTA4HCYP4F2 | |
| SCHEMBL1534177 | 0.82 | CETP (0.41) | CYP2C19CETPMMECYP4F2CYP4A11 | |
| SCHEMBL5517446 | 0.81 | ALDH1A1 (0.36) | CYP2C19BLMCYP2D6SLC6A2SLC6A4 | |
| SCHEMBL9183557 | 0.80 | CYP2C19 (0.65) | CYP2C19MMETBXAS1BLMCYP4F2 | |
| SCHEMBL9180415 | 0.80 | CYP2C19 (0.65) | CYP2C19MMETBXAS1BLMCYP4F2 | |
| SCHEMBL6385927 | 0.80 | CETP (0.39) | CYP2C19CETPMMECYP2D6SLC6A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367666-B2 | 3-carbamoyl-2-pyridone derivatives | SHIONOGI & CO., LTD. (JP) | 2013-02-05 | — | — | US | disclosed |
| US-8178681-B2 | methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency | SHIONOGI & CO., LTD. (JP) | 2012-05-15 | — | — | US | disclosed |
| US-8178681-B2 | methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency | SHIONOGI & CO., LTD. (JP) | 2012-05-15 | — | — | US | disclosed |
| EP-0117876-A1 | SULFONIC ESTER DERIVATIVES AND PROCESS FOR THEIR PREPARATION | TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) | 1984-09-12 | — | — | EP | disclosed |