Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL5517785 | 0.86 | ALDH1A1 (0.42) | ALDH1A1MAPK1LMNAHSD17B10KMT2A | |
| SCHEMBL11922853 | 0.84 | ALDH1A1 (0.55) | ALDH1A1MAPK1LMNAHSD17B10GLA | |
| SCHEMBL2746556 | 0.83 | ALDH1A1 (0.54) | ALDH1A1MAPK1LMNAHSD17B10GLA | |
| SCHEMBL5540743 | 0.82 | BCHE (0.43) | ALDH1A1MAPK1LMNAKMT2ABCHE | |
| SCHEMBL5536454 | 0.82 | BCHE (0.48) | ALDH1A1MAPK1LMNAKMT2ABCHE | |
| SCHEMBL10264939 | 0.82 | ITGB3 (0.46) | ALDH1A1MAPK1LMNAKMT2AKDM4E | |
| SCHEMBL5516664 | 0.81 | GAA (0.47) | ALDH1A1KDM4EGAA | |
| SCHEMBL14679349 | 0.80 | ITGB3 (0.48) | ALDH1A1RAB9AHPGD | |
| SCHEMBL5511891 | 0.79 | ALDH1A1 (0.59) | ALDH1A1LMNAKDM4ERAB9AHPGD | |
| SCHEMBL13688865 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MAPK1LMNAHSD17B10GLA |
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-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 |
| 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 |