Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 2/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.42 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL18240600 | 0.84 | RELA (0.62) | CHRM5RELANFE2L2CYP19A1NQO2 | |
| SCHEMBL7972130 | 0.84 | ALOX5 (0.44) | ALDH1A1 | |
| SCHEMBL7975159 | 0.83 | AHR (0.53) | RELAROCK2MAP4K4PRKACAROCK1 | |
| SCHEMBL7971923 | 0.82 | CHRM5 (0.47) | CHRM5RELANFE2L2CYP1A1CYP1A2 | |
| SCHEMBL2099510 | 0.80 | CHRM5 (0.67) | CHRM5RELANFE2L2CYP19A1NQO2 | |
| SCHEMBL7969830 | 0.80 | TP53 (0.43) | CHRM5RELACYP1A2NPC1RAB9A | |
| SCHEMBL7222015 | 0.79 | ALDH1A1 (0.41) | NFE2L2CYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL18240779 | 0.79 | RELA (0.56) | CHRM5RELANFE2L2CYP19A1NQO2 | |
| SCHEMBL8436212 | 0.77 | CYP11B2 (0.39) | CHRM5CYP19A1 | |
| SCHEMBL3301399 | 0.75 | CHRM5 (0.60) | CHRM5RELANFE2L2CYP19A1NQO2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001017965-A2 | CYANOPIPERIDINES AS PESTICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2001-03-15 | — | — | WO | disclosed |