Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 7/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28026369 | 1.00 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3CYP3A4 | |
| SCHEMBL11911979 | 0.84 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3CYP3A4 | |
| SCHEMBL4946642 | 0.79 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNB4CHRNA3CYP3A4 | |
| SCHEMBL29854164 | 0.79 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNB4CHRNA3CYP3A4 | |
| SCHEMBL30361331 | 0.77 | CYP3A4 (0.38) | CYP3A4CYP3A5LMNATDP1 | |
| SCHEMBL18833426 | 0.77 | KDM4E (0.39) | CHRNB4CHRNA3LMNA | |
| SCHEMBL28060320 | 0.77 | KDM4E (0.39) | CHRNB4CHRNA3LMNA | |
| Trifluoroacetic Acid SCHEMBL30901022 | 0.76 | CYP3A4 (0.51) | CHRNB2CHRNA4CHRNB4CHRNA3CYP3A4 | |
| SCHEMBL14477064 | 0.76 | CHRNB2 (0.49) | CHRNB2CHRNA4CHRNB4CHRNA3CYP3A4 | |
| SCHEMBL1515202 | 0.76 | CHRNB2 (0.49) | CHRNB2CHRNA4CHRNB4CHRNA3LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-104837818-A | Pyridine-2-amides useful as CB2 agonists | HOFFMANN LA ROCHE | 2015-08-12 | — | — | CN | disclosed |