Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 3/20 | 0.66 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | MMP8 | P22894 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13774782 | 0.83 | OPRK1 (0.68) | OPRK1SMN1; SMN2MMP8KMT2AMAPT | |
| SCHEMBL28170723 | 0.83 | RAB9A (0.56) | OPRK1MAPTALDH1A1L3MBTL1LMNA | |
| SCHEMBL1516186 | 0.82 | RIPK1 (0.71) | OPRK1RIPK1SMN1; SMN2MMP8KMT2A | |
| SCHEMBL30383074 | 0.82 | OPRK1 (0.57) | OPRK1RIPK1SMN1; SMN2MMP8KMT2A | |
| SCHEMBL28171553 | 0.82 | IDO1 (0.50) | OPRK1RIPK1KMT2AMEN1LMNA | |
| SCHEMBL13774770 | 0.82 | PKM (0.58) | SMN1; SMN2KMT2AMAPTALDH1A1L3MBTL1 | |
| SCHEMBL30383226 | 0.81 | OPRK1 (0.56) | OPRK1RIPK1SMN1; SMN2MMP8KMT2A | |
| SCHEMBL16644093 | 0.80 | RIPK1 (0.69) | OPRK1RIPK1SMN1; SMN2MMP8KMT2A | |
| SCHEMBL432436 | 0.80 | RIPK1 (0.69) | OPRK1RIPK1SMN1; SMN2MMP8KMT2A | |
| SCHEMBL14472568 | 0.79 | RIPK1 (0.55) | OPRK1RIPK1SMN1; SMN2MMP8KMT2A |
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 |