Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRMT1 | Q99873 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGAV | P06756 | 1/20 | 0.41 |
| ▸ | ECE1 | P42892 | 3/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 8/20 | 0.39 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL5541180 | 0.88 | PRMT1 (0.59) | PRMT1EPHX2ADRA1A | |
| SCHEMBL16938643 | 0.82 | PRMT1 (0.64) | PRMT1ITGB3ITGAVECE1EPHX2 | |
| SCHEMBL2824552 | 0.82 | BCHE (0.36) | EPHX2KDM4C | |
| SCHEMBL14679334 | 0.81 | PRMT1 (0.41) | PRMT1ITGB3ITGAVECE1EPHX2 | |
| SCHEMBL14679316 | 0.78 | EGLN1 (0.40) | PRMT1ITGB3ITGAVECE1NAALAD2 | |
| SCHEMBL8070563 | 0.78 | MEN1 (0.38) | PRMT1EPHX2KDM4C | |
| SCHEMBL21706216 | 0.78 | SIGMAR1 (0.41) | PRMT1KDM4C | |
| SCHEMBL11148743 | 0.77 | FAAH (0.37) | PRMT1KDM4C | |
| SCHEMBL15197024 | 0.76 | EGLN1 (0.39) | ECE1NAALAD2PLA2G2AADRA1A | |
| SCHEMBL7259183 | 0.76 | EPHX2 (0.58) | PRMT1ITGB3ITGAVECE1EPHX2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |