Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.37 |
| ▸ | SCN1A | P35498 | 2/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21742015 | 0.79 | KCNA5 (0.45) | KCNA5KCNH2CYP2D6KCNE1MEN1 | |
| SCHEMBL20278799 | 0.78 | KCNA5 (0.41) | KCNA5KCNH2CYP2D6KCNE1MEN1 | |
| SCHEMBL21742251 | 0.76 | KCNA5 (0.45) | KCNA5KCNH2CYP2D6KCNE1MEN1 | |
| SCHEMBL22131652 | 0.75 | KCNA5 (0.40) | KCNA5KCNH2CYP2D6KCNE1MEN1 | |
| SCHEMBL3804481 | 0.74 | KCNA5 (0.44) | KCNA5KCNH2CYP2D6KCNE1MEN1 | |
| SCHEMBL21742078 | 0.74 | KCNA5 (0.50) | KCNA5KCNH2CYP2D6KCNE1MEN1 | |
| SCHEMBL15704684 | 0.73 | KCNA5 (0.49) | KCNA5KCNH2CYP2D6KCNE1MEN1 | |
| SCHEMBL28012567 | 0.73 | KCNA5 (0.49) | KCNA5KCNH2CYP2D6KCNE1MEN1 | |
| SCHEMBL21742062 | 0.72 | KCNA5 (0.49) | KCNA5KCNH2CYP2D6KCNE1MEN1 | |
| SCHEMBL21742012 | 0.72 | KCNA5 (0.49) | KCNA5KCNH2CYP2D6KCNE1MEN1 |
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-3412663-B1 | NITROGEN-CONTAINING HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2022-09-07 | — | — | EP | disclosed |