Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2746991 | 0.81 | EPHX1 (0.44) | EPHX1CTSBCTSSCTSKPOLB | |
| SCHEMBL2746995 | 0.81 | CTSB (0.33) | EPHX1CTSBCTSSCTSKPOLB | |
| SCHEMBL5517066 | 0.78 | CHRNB2 (0.33) | EPHX1CTSBCTSSCTSK | |
| SCHEMBL1598076 | 0.76 | PDE7A (0.41) | EPHX1POLBPDE7A | |
| SCHEMBL14086037 | 0.72 | EPHX1 (0.50) | EPHX1CTSBCTSSCTSKCA1 | |
| SCHEMBL14086040 | 0.72 | EPHX1 (0.50) | EPHX1CTSBCTSSCTSKCA1 | |
| SCHEMBL11441520 | 0.72 | EPHX1 (0.50) | EPHX1CTSBCTSSCTSKCA1 | |
| SCHEMBL12527129 | 0.72 | MAPT (0.32) | POLB | |
| SCHEMBL29191689 | 0.72 | EPHX1 (0.50) | EPHX1CTSBCTSSCTSKCA1 | |
| SCHEMBL14108806 | 0.71 | CA1 (0.36) | EPHX1CA1CA2CA4 |
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 |