Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5541719 | 0.78 | EPHX1 (0.46) | EPHX1CTSBCTSSCTSK | |
| SCHEMBL2746991 | 0.77 | EPHX1 (0.44) | EPHX1CTSBCTSSCTSK | |
| SCHEMBL2746995 | 0.77 | CTSB (0.33) | EPHX1CTSBCTSSCTSK | |
| SCHEMBL14072940 | 0.75 | CTSB (0.40) | EPHX1CTSBCTSSCTSK | |
| SCHEMBL14072939 | 0.75 | CTSB (0.40) | EPHX1CTSBCTSSCTSK | |
| SCHEMBL1598076 | 0.72 | PDE7A (0.41) | EPHX1 | |
| SCHEMBL14109368 | 0.69 | SLC18A3 (0.37) | — | |
| SCHEMBL5513864 | 0.69 | SLC1A2 (0.42) | EPHX1 | |
| SCHEMBL22432292 | 0.69 | EPHX1 (0.41) | EPHX1 | |
| SCHEMBL14447247 | 0.69 | SLC1A2 (0.42) | EPHX1 |
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-8367666-B2 | 3-carbamoyl-2-pyridone derivatives | SHIONOGI & CO., LTD. (JP) | 2013-02-05 | — | — | US | 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 |