Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 12/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 12/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 12/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NTMT1 | Q9BV86 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1696246 | 0.78 | TSHR (0.42) | TSHRRXFP1CYP2D6CHRM2CHRM1 | |
| SCHEMBL1696230 | 0.78 | TSHR (0.42) | TSHRRXFP1CYP2D6CHRM2CHRM1 | |
| SCHEMBL1701433 | 0.76 | CYP2D6 (0.51) | TSHRRXFP1CYP2D6CHRM2CHRM1 | |
| SCHEMBL16479753 | 0.76 | PDE2A (0.45) | TSHRRXFP1CYP2D6CHRM3MEN1 | |
| SCHEMBL16463126 | 0.76 | PDE2A (0.45) | TSHRRXFP1CYP2D6CHRM3MEN1 | |
| SCHEMBL1696272 | 0.76 | PDE2A (0.45) | TSHRRXFP1CYP2D6CHRM3MEN1 | |
| SCHEMBL1701061 | 0.75 | CYP2D6 (0.58) | TSHRRXFP1CYP2D6CHRM2CHRM1 | |
| SCHEMBL2486589 | 0.71 | CHRM2 (0.66) | TSHRCYP2D6CHRM2CHRM1CHRM3 | |
| SCHEMBL1696085 | 0.71 | CHRM2 (0.51) | CYP2D6CHRM2CHRM1CHRM3 | |
| SCHEMBL2987165 | 0.68 | CHRM3 (0.58) | TSHRRXFP1CYP2D6CHRM2CHRM1 |
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-2585457-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | Chiesi Farmaceutici S.p.A. (IT) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011160918-A1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHIESI FARMACEUTICI S.P.A. (IT) | 2011-12-29 | — | — | WO | disclosed |