Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | PRKCA | P17252 | 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 | |
|---|---|---|---|---|
| SCHEMBL18584058 | 0.86 | BLM (0.38) | BLMCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19177027 | 0.84 | PIK3CD (0.33) | PIK3CD | |
| SCHEMBL5513384 | 0.81 | ALDH1A1 (0.38) | ALDH1A1PIK3CDCYP2C19 | |
| SCHEMBL5520693 | 0.81 | CYP2C19 (0.50) | CYP4F2CYP4A11BLMCYP2D6SLC6A2 | |
| SCHEMBL5545092 | 0.79 | CYP4F2 (0.34) | ALDH1A1CYP4F2CYP4A11CYP2C19NPSR1 | |
| SCHEMBL20220996 | 0.77 | CYP4F2 (0.36) | CYP4F2CYP4A11PRKCA | |
| SCHEMBL20103997 | 0.76 | KDM4E (0.34) | ALDH1A1BLMCYP2D6SLC6A2SLC6A4 | |
| SCHEMBL18937036 | 0.76 | CYP4F2 (0.38) | ALDH1A1CYP4F2CYP4A11CYP2D6CYP2C19 | |
| SCHEMBL20221176 | 0.75 | CA1 (0.31) | BLMCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19919498 | 0.74 | CYP2C19 (0.38) | ALDH1A1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3169666-B1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2018-06-06 | — | — | EP | disclosed |
| 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 |