Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | LIPE | Q05469 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL16708787 | 0.83 | HRH3 (0.39) | HRH3CYP2D6KCNH2MEN1ALDH1A1 | |
| SCHEMBL5510969 | 0.81 | LMNA (0.53) | HRH3CYP2D6KCNH2ALDH1A1HPGD | |
| SCHEMBL5516664 | 0.80 | GAA (0.47) | HRH3ALDH1A1CHRM1 | |
| SCHEMBL18959724 | 0.80 | DPP4 (0.33) | DPP4CHRM2CHRM1CHRM3 | |
| SCHEMBL9963903 | 0.79 | HSP90AA1 (0.41) | DPP4HSP90AA1HSP90AB1KCNH2MEN1 | |
| SCHEMBL16708790 | 0.79 | RIPK1 (0.38) | HRH3MEN1ALDH1A1KMT2AHTT | |
| SCHEMBL18907823 | 0.78 | ALDH1A1 (0.41) | DPP4LIPEMEN1ALDH1A1KMT2A | |
| SCHEMBL5516041 | 0.78 | SMN1; SMN2 (0.43) | HRH3CYP2D6MEN1ALDH1A1KMT2A | |
| SCHEMBL21843752 | 0.77 | CNR1 (0.38) | HRH3DPP4HSP90AA1HSP90AB1LIPE | |
| SCHEMBL29317765 | 0.77 | DPP4 (0.39) | HRH3DPP4HSP90AA1HSP90AB1LIPE |
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 |