Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 5/20 | 0.54 |
| ▸ | KAT6A | Q92794 | 9/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5543693 | 0.84 | PPARA (0.52) | HTTSMN1; SMN2BCAT1KMT2AALDH1A1 | |
| SCHEMBL14679321 | 0.83 | HTT (0.66) | HTTSMN1; SMN2BCAT1GAAKAT6A | |
| SCHEMBL2746052 | 0.81 | HTT (0.62) | HTTSMN1; SMN2BCAT1GAAKAT6A | |
| SCHEMBL9733160 | 0.74 | BCAT1 (1.00) | HTTSMN1; SMN2BCAT1GAAKAT6A | |
| SCHEMBL11532705 | 0.74 | BCAT1 (0.71) | HTTSMN1; SMN2BCAT1GAAKAT6A | |
| SCHEMBL11584614 | 0.73 | BCAT1 (0.60) | HTTSMN1; SMN2BCAT1GAAKAT6A | |
| SCHEMBL11513730 | 0.71 | MEN1 (0.72) | HTTSMN1; SMN2BCAT1GAAKAT6A | |
| SCHEMBL7633153 | 0.71 | BCAT1 (0.68) | HTTSMN1; SMN2BCAT1GAAKAT6A | |
| SCHEMBL6397060 | 0.71 | KAT6A (0.73) | HTTSMN1; SMN2BCAT1GAAKAT6A | |
| SCHEMBL2361900 | 0.71 | BCAT1 (0.67) | HTTSMN1; SMN2BCAT1GAAKAT6A |
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 |