Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11923033 | 0.84 | ALDH1A1 (0.41) | CNR1CNR2ALDH1A1HCRTR2EPHX1 | |
| SCHEMBL5520478 | 0.83 | EPHX2 (0.47) | ALDH1A1HCRTR2EPHX1EPHX2LMNA | |
| SCHEMBL2745839 | 0.81 | CNR1 (0.40) | CNR1CNR2ALDH1A1EPHX1EPHX2 | |
| SCHEMBL5512019 | 0.79 | STS (0.42) | CNR1CNR2HRH3EPHX2LMNA | |
| SCHEMBL29333286 | 0.78 | EPHX2 (0.43) | ALDH1A1EPHX2 | |
| SCHEMBL5543694 | 0.77 | KMT2A (0.38) | ALDH1A1HRH3EPHX2SMN1; SMN2 | |
| SCHEMBL716519 | 0.77 | EPHX1 (0.58) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL12017963 | 0.75 | EPHX2 (0.51) | EPHX1EPHX2CCR8 | |
| SCHEMBL5514914 | 0.75 | HRH3 (0.40) | ALDH1A1HTTHRH3ITGB3ITGA2B | |
| SCHEMBL5542518 | 0.75 | EPHX1 (0.49) | ALDH1A1EPHX1EPHX2SMN1; SMN2KDM5A |
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 |