Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL14679301 | 0.82 | CHRNB2 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA4DPP4 | |
| SCHEMBL5515622 | 0.82 | MLYCD (0.30) | DPP4 | |
| SCHEMBL13821860 | 0.79 | DPP4 (0.35) | DPP4 | |
| SCHEMBL14679290 | 0.77 | CHRNB2 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4DPP4 | |
| SCHEMBL19308262 | 0.77 | CHRNB2 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4DPP4 | |
| SCHEMBL5514707 | 0.77 | CHRNB2 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4DPP4 | |
| SCHEMBL4546666 | 0.76 | CHRNB2 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4DPP4 | |
| SCHEMBL2746323 | 0.76 | DPP4 (0.58) | CHRNB2CHRNB4CHRNA3CHRNA4DPP4 | |
| SCHEMBL26535305 | 0.74 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4DPP4 | |
| SCHEMBL2745900 | 0.73 | DPP4 (0.56) | CHRNB2CHRNB4CHRNA3CHRNA4DPP4 |
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-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 |