Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | PDE2A | O00408 | 1/20 | 0.48 |
| ▸ | PDE6D | O43924 | 1/20 | 0.48 |
| ▸ | PDE8A | O60658 | 1/20 | 0.48 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | PDE9A | O76083 | 1/20 | 0.48 |
| ▸ | PDE8B | O95263 | 1/20 | 0.48 |
| ▸ | PDE6A | P16499 | 1/20 | 0.48 |
| ▸ | PDE6G | P18545 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1696015 | 1.00 | NPC1 (0.59) | NPC1RAB9ACHRM3GLACHRNA7 | |
| SCHEMBL1696012 | 1.00 | NPC1 (0.59) | NPC1RAB9ACHRM3GLACHRNA7 | |
| SCHEMBL13241021 | 0.96 | NPC1 (0.56) | NPC1RAB9ACHRM3GLACHRNA7 | |
| SCHEMBL1695933 | 0.92 | CHRM3 (0.62) | CHRM3CHRNA7BCHEACHEGAA | |
| SCHEMBL1695935 | 0.92 | CHRM3 (0.62) | CHRM3CHRNA7BCHEACHEGAA | |
| SCHEMBL2486482 | 0.92 | CHRM3 (0.62) | CHRM3CHRNA7BCHEACHEGAA | |
| SCHEMBL12071819 | 0.92 | CHRM3 (0.62) | CHRM3CHRNA7BCHEACHEGAA | |
| SCHEMBL1695975 | 0.92 | CHRM3 (0.62) | CHRM3CHRNA7BCHEACHEGAA | |
| SCHEMBL1695691 | 0.89 | CHRM3 (0.57) | CHRM3CHRNA7BCHEACHECYP2D6 | |
| SCHEMBL13241011 | 0.89 | CHRM3 (0.57) | CHRM3CHRNA7BCHEACHECYP2D6 |
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-B1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHIESI FARMA SPA (IT) | 2015-04-22 | — | — | EP | disclosed |