Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6857307 | 0.79 | ALDH1A1 (0.32) | HIF1ACYP1A2TSHRNFKB1MAOA | |
| SCHEMBL28890203 | 0.79 | HIF1A (0.32) | HIF1ACYP1A2TSHRNFKB1MAOA | |
| SCHEMBL5537638 | 0.76 | PIK3CD (0.32) | PIK3CD | |
| SCHEMBL8075483 | 0.76 | MMP8 (0.39) | PIK3CDCA2 | |
| SCHEMBL5533225 | 0.75 | — | — | |
| SCHEMBL20456741 | 0.75 | TAS1R3 (0.30) | — | |
| SCHEMBL18907737 | 0.74 | SIGMAR1 (0.38) | TSHRNFKB1PIK3CDLMNACA1 | |
| SCHEMBL22273592 | 0.74 | POLB (0.43) | PIK3CD | |
| SCHEMBL2177777 | 0.72 | — | — | |
| SCHEMBL5540843 | 0.72 | EPHX1 (0.38) | PIK3CDCA2 |
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 2 patents. 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 |
| WO-2010132871-A1 | THERMALLY STABLE VOLATILE FILM PRECURSORS | WAYNE STATE UNIVERSITY (US) | 2010-11-18 | — | — | WO | disclosed |