Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.37 |
| ▸ | AOC1 | P19801 | 2/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 3/20 | 0.35 |
| ▸ | BACE1 | P56817 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12303734 | 0.86 | ALDH1A1 (0.45) | GPBAR1ALDH1A1RPS6KA3GABRA1GABRG2 | |
| SCHEMBL29939399 | 0.86 | ALDH1A1 (0.45) | GPBAR1ALDH1A1RPS6KA3GABRA1GABRG2 | |
| SCHEMBL30445287 | 0.81 | AOC1 (0.38) | ALDH1A1RPS6KA3DPP4AOC1AOC3 | |
| SCHEMBL12097254 | 0.79 | GPBAR1 (0.47) | GPBAR1ALDH1A1RPS6KA3ACHECYP17A1 | |
| SCHEMBL12097664 | 0.79 | GPBAR1 (0.48) | GPBAR1 | |
| SCHEMBL12496964 | 0.78 | GPBAR1 (0.46) | GPBAR1ALDH1A1CYP17A1CYP1A2 | |
| SCHEMBL17506374 | 0.78 | AOC1 (0.52) | ALDH1A1RPS6KA3AOC1AOC3CYP1A2 | |
| SCHEMBL13149262 | 0.78 | ALDH1A1 (0.46) | GPBAR1ALDH1A1RPS6KA3NUDT1 | |
| SCHEMBL29939393 | 0.78 | ALDH1A1 (0.46) | GPBAR1ALDH1A1RPS6KA3NUDT1 | |
| SCHEMBL30927149 | 0.77 | ALDH1A1 (0.50) | ALDH1A1GABRG2GABRB3GABRA5GABRA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4405344-A2 | PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS | Xenon Pharmaceuticals Inc. (CA) | 2024-07-31 | — | — | EP | disclosed |
| CN-118251389-A | Pyridyl derivatives as sodium channel activators | 泽农医药公司 | 2024-06-25 | — | — | CN | disclosed |
| WO-2023049369-A2 | PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS | XENON PHARMACEUTICALS INC. (CA) | 2023-03-30 | — | — | WO | disclosed |