Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.36 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.36 |
| ▸ | WNT3 | P56703 | 1/20 | 0.34 |
| ▸ | SFRP1 | Q8N474 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2754308 | 0.87 | DPP4 (0.39) | ALDH1A1NPY5REPHX2EPHX1LMNA | |
| SCHEMBL2980571 | 0.85 | ALDH1A1 (0.38) | ALDH1A1NPY5REPHX2WNT3SFRP1 | |
| SCHEMBL24435818 | 0.85 | EPHX2 (0.50) | ALDH1A1EPHX2EPHX1MEN1KMT2A | |
| SCHEMBL11923033 | 0.85 | ALDH1A1 (0.41) | ALDH1A1DRD2DRD4DRD3EPHX2 | |
| SCHEMBL10133512 | 0.83 | CCR8 (0.41) | ALDH1A1NPY5REPHX2EPHX1LMNA | |
| SCHEMBL10115727 | 0.81 | LMNA (0.47) | ALDH1A1EPHX2EPHX1LMNANPSR1 | |
| SCHEMBL10265588 | 0.81 | DRD2 (0.39) | ALDH1A1DRD2DRD4DRD3EPHX2 | |
| SCHEMBL16591620 | 0.80 | BTK (0.40) | ALDH1A1DRD2DRD4DRD3EPHX2 | |
| SCHEMBL10115725 | 0.77 | LMNA (0.57) | ALDH1A1EPHX2EPHX1LMNASMN1; SMN2 | |
| SCHEMBL21133374 | 0.77 | ALDH1A1 (0.46) | ALDH1A1DRD2DRD4DRD3EPHX2 |
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 |