Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.38 |
| ▸ | F2R | P25116 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14679331 | 0.85 | BCHE (0.47) | BCHEGAACYP2C9CYP2C19TSHR | |
| SCHEMBL5536454 | 0.85 | BCHE (0.48) | BCHEGAACYP2C9CYP2C19ITGB3 | |
| SCHEMBL5517785 | 0.84 | ALDH1A1 (0.42) | GAACYP2C9CYP2C19TSHRITGB3 | |
| SCHEMBL5540757 | 0.83 | LMNA (0.51) | GAACYP2C9CYP2C19ITGB3ITGA2B | |
| SCHEMBL5515906 | 0.82 | ALDH1A1 (0.50) | BCHEGAAKMT2AALDH1A1MEN1 | |
| SCHEMBL5516041 | 0.82 | SMN1; SMN2 (0.43) | GAAKMT2AALDH1A1MEN1LMNA | |
| SCHEMBL10264939 | 0.82 | ITGB3 (0.46) | GAACYP2C9CYP2C19ITGB3ITGA2B | |
| SCHEMBL10266351 | 0.82 | ITGB3 (0.45) | ITGB3ITGA2BF2RKMT2AALDH1A1 | |
| SCHEMBL5538302 | 0.80 | RAB9A (0.47) | GAAITGB3ITGA2BF2RALDH1A1 | |
| SCHEMBL14679349 | 0.80 | ITGB3 (0.48) | ITGB3ITGA2BF2RALDH1A1RAB9A |
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 |