Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 8/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 7/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.37 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5517230 | 0.95 | CHRM1 (0.38) | CHRM1CHRM3CHRM2CHRM4CHRM5 | |
| SCHEMBL14215383 | 0.82 | CHRM5 (0.42) | CHRM1CHRM3CHRM2CHRM4CHRM5 | |
| SCHEMBL3735208 | 0.79 | CYP4F2 (0.43) | TSHRGAAACHE | |
| SCHEMBL18722879 | 0.79 | NAAA (0.50) | LMNATSHRACHERAD52NPSR1 | |
| SCHEMBL23200292 | 0.77 | CYP1A2 (0.34) | — | |
| SCHEMBL22965865 | 0.77 | BLM (0.33) | BLMGAAACHENPSR1 | |
| SCHEMBL21137739 | 0.76 | MEN1 (0.42) | TSHR | |
| SCHEMBL5511459 | 0.76 | CHRM2 (0.44) | CHRM1CHRM3CHRM2CHRM4CHRM5 | |
| SCHEMBL23198330 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL11922955 | 0.76 | CHRM5 (0.43) | CHRM1CHRM3CHRM2CHRM4CHRM5 |
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-8367666-B2 | 3-carbamoyl-2-pyridone derivatives | SHIONOGI & CO., LTD. (JP) | 2013-02-05 | — | — | US | disclosed |
| 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 |