Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 13/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 13/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 13/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1701061 | 0.86 | CYP2D6 (0.58) | CYP2D6CHRM2CHRM1CHRM3TSHR | |
| SCHEMBL2486589 | 0.83 | CHRM2 (0.66) | CYP2D6CHRM2CHRM1CHRM3TSHR | |
| SCHEMBL12071825 | 0.78 | CHRM3 (0.54) | CYP2D6CHRM2CHRM1CHRM3TSHR | |
| SCHEMBL15117446 | 0.78 | CHRM3 (0.54) | CYP2D6CHRM2CHRM1CHRM3TSHR | |
| SCHEMBL2487397 | 0.77 | CHRM2 (0.58) | CYP2D6CHRM2CHRM1CHRM3TSHR | |
| SCHEMBL1696246 | 0.77 | TSHR (0.42) | CYP2D6CHRM2CHRM1CHRM3TSHR | |
| SCHEMBL1696230 | 0.77 | TSHR (0.42) | CYP2D6CHRM2CHRM1CHRM3TSHR | |
| SCHEMBL1696271 | 0.76 | TSHR (0.44) | CYP2D6CHRM2CHRM1CHRM3TSHR | |
| SCHEMBL1696085 | 0.70 | CHRM2 (0.51) | CYP2D6CHRM2CHRM1CHRM3CHRNA7 | |
| SCHEMBL19489117 | 0.70 | TSHR (0.64) | CYP2D6CHRM2CHRM1CHRM3TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2585459-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF | Chiesi Farmaceutici S.p.A. (IT) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011161018-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF | CHIESI FARMACEUTICI S.P.A. (IT) | 2011-12-29 | — | — | WO | disclosed |