Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 14/20 | 0.66 |
| ▸ | CHRM1 | P11229 | 14/20 | 0.66 |
| ▸ | CHRM3 | P20309 | 14/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.54 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2487397 | 0.93 | CHRM2 (0.58) | CHRM2CHRM1CHRM3CYP2D6CHRNA7 | |
| SCHEMBL1701061 | 0.90 | CYP2D6 (0.58) | CHRM2CHRM1CHRM3CYP2D6CHRNA7 | |
| SCHEMBL1701433 | 0.83 | CYP2D6 (0.51) | CHRM2CHRM1CHRM3CYP2D6CHRNA7 | |
| SCHEMBL1696085 | 0.82 | CHRM2 (0.51) | CHRM2CHRM1CHRM3CYP2D6CHRNA7 | |
| SCHEMBL4083767 | 0.80 | CHRM1 (1.00) | CHRM2CHRM1CHRM3CHRNA7BCHE | |
| SCHEMBL15147390 | 0.80 | CYP2D6 (0.67) | CHRM2CHRM1CHRM3CYP2D6CHRNA7 | |
| SCHEMBL7824082 | 0.80 | CYP2D6 (0.67) | CHRM2CHRM1CHRM3CYP2D6CHRNA7 | |
| SCHEMBL7824078 | 0.80 | CYP2D6 (0.67) | CHRM2CHRM1CHRM3CYP2D6CHRNA7 | |
| SCHEMBL16790937 | 0.77 | CYP2D6 (0.64) | CHRM2CHRM1CHRM3CYP2D6CHRNA7 | |
| SCHEMBL16790940 | 0.77 | CYP2D6 (0.64) | CHRM2CHRM1CHRM3CYP2D6CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2376489-A1 | Alkaloid aminoester derivatives and medicinal composition thereof | Chiesi Farmaceutici S.p.A. (IT) | 2011-10-19 | — | — | EP | disclosed |