Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 5/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14215417 | 0.84 | ALDH1A1 (0.57) | EPHX2EPHX1LMNATP53ALDH1A1 | |
| SCHEMBL14679302 | 0.83 | ALDH1A1 (0.51) | LMNAALDH1A1 | |
| SCHEMBL2746762 | 0.81 | EPHX2 (0.49) | EPHX2EPHX1LMNATP53ALDH1A1 | |
| SCHEMBL18907740 | 0.80 | PKM (0.48) | EPHX2EPHX1ALDH1A1GAASMYD3 | |
| SCHEMBL10266358 | 0.79 | KMT2A (0.62) | EPHX2LMNATP53ALDH1A1GAA | |
| SCHEMBL19176862 | 0.79 | ALDH1A1 (0.48) | EPHX2EPHX1LMNATP53ALDH1A1 | |
| SCHEMBL19169605 | 0.78 | TP53 (0.46) | EPHX2EPHX1LMNATP53ALDH1A1 | |
| SCHEMBL3841283 | 0.77 | CTSK (0.54) | EPHX2EPHX1LMNATP53ALDH1A1 | |
| SCHEMBL18914213 | 0.77 | PDK1 (0.49) | EPHX2EPHX1ALDH1A1GAA | |
| SCHEMBL4919816 | 0.77 | EPHX2 (0.65) | EPHX2EPHX1LMNATP53ALDH1A1 |
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 |