Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5544456 | 0.85 | ALDH1A1 (0.50) | CYP2C9ALDH1A1PKMSMN1; SMN2EPHX2 | |
| SCHEMBL10266061 | 0.81 | SMN1; SMN2 (0.50) | ALDH1A1SMN1; SMN2EPHX2USP30HTT | |
| SCHEMBL5514087 | 0.78 | CA1 (0.44) | CA1CA2CA12CA9GAA | |
| SCHEMBL14679302 | 0.76 | ALDH1A1 (0.51) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL18914213 | 0.76 | PDK1 (0.49) | GAAALDH1A1PKMSMN1; SMN2EPHX2 | |
| SCHEMBL18909863 | 0.74 | PDK1 (0.56) | GAAALDH1A1SMN1; SMN2EPHX2SIGMAR1 | |
| SCHEMBL14472339 | 0.72 | CA1 (0.49) | CA1CA2CA12CA9GAA | |
| SCHEMBL18907740 | 0.72 | PKM (0.48) | GAAALDH1A1PKMSMN1; SMN2EPHX2 | |
| SCHEMBL12448075 | 0.71 | ALDH1A1 (0.53) | GAACYP2C9CYP2C19ALDH1A1PKM | |
| SCHEMBL12449179 | 0.71 | SMN1; SMN2 (0.47) | CA1CA2CA12CA9GAA |
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 2 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 |