Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.60 |
| ▸ | CA2 | P00918 | 4/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.60 |
| ▸ | CA9 | Q16790 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 3/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | F2R | P25116 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25587363 | 0.79 | CA12 (0.53) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL14679304 | 0.74 | LMNA (0.58) | CA1CA2CA12CA9LMNA | |
| SCHEMBL16418438 | 0.73 | LMNA (0.51) | CA1CA2CA12CA9LMNA | |
| SCHEMBL3328002 | 0.73 | LMNA (0.62) | LMNAALDH1A1KDM4ECTSDBACE1 | |
| SCHEMBL26251997 | 0.73 | CA1 (0.60) | CA1CA2CA12CA9LMNA | |
| SCHEMBL25592957 | 0.72 | CA12 (0.52) | CA1CA2CA12CA9LMNA | |
| SCHEMBL24664428 | 0.72 | KMT2A (0.59) | LMNAKDM4ECYP2C9CYP2C19NPSR1 | |
| SCHEMBL3705956 | 0.72 | KMT2A (0.59) | LMNAALDH1A1KDM4ECYP2C9CYP2C19 | |
| SCHEMBL15202854 | 0.71 | LMNA (0.55) | CA1CA2CA12CA9LMNA | |
| SCHEMBL1651682 | 0.70 | LMNA (0.61) | LMNAALDH1A1KDM4EEPHX1CYP2C19 |
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 |