Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 3/20 | 0.52 |
| ▸ | MITF | O75030 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | LARS1 | Q9P2J5 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14212012 | 0.85 | NLRP3 (0.49) | LMNAKMT2ASMN1; SMN2CA2PTGS1 | |
| SCHEMBL5537015 | 0.84 | HTT (0.59) | KMT2ASMN1; SMN2MAPTHTTBCAT1 | |
| SCHEMBL13764330 | 0.82 | PPARA (0.57) | PPARAMITFHPGDLARS1LMNA | |
| SCHEMBL29317683 | 0.80 | PPARA (0.59) | PPARAMITFHPGDLARS1LMNA | |
| SCHEMBL3531889 | 0.79 | PPARA (0.55) | PPARAMITFHPGDLARS1LMNA | |
| SCHEMBL4584839 | 0.79 | PPARA (0.55) | PPARAMITFHPGDLARS1LMNA | |
| SCHEMBL85199 | 0.75 | ALDH1A1 (0.69) | MITFHPGDLARS1LMNAKMT2A | |
| SCHEMBL5394506 | 0.75 | CA1 (0.57) | PPARAHPGDLARS1CA2KDM4E | |
| SCHEMBL14278270 | 0.74 | PPARA (0.56) | PPARALARS1KMT2ASMN1; SMN2CA2 | |
| SCHEMBL27907157 | 0.73 | ALDH1A1 (0.48) | PPARAMITFHPGDLARS1LMNA |
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 |