Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 4/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.41 |
| ▸ | SCN1A | P35498 | 3/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | HRH1 | P35367 | 3/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | DRD1 | P21728 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | THPO | P40225 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29031285 | 0.95 | KCNA5 (0.47) | KCNA5KCNH2CYP2D6KCNE1TSHR | |
| SCHEMBL28669183 | 0.93 | KCNA5 (0.46) | KCNA5KCNH2CYP2D6KCNE1TSHR | |
| SCHEMBL28347623 | 0.93 | KCNA5 (0.46) | KCNA5KCNH2CYP2D6KCNE1TSHR | |
| SCHEMBL21405673 | 0.93 | KCNA5 (0.46) | KCNA5KCNH2CYP2D6KCNE1TSHR | |
| Bromide SCHEMBL9168336 | 0.93 | KCNA5 (0.46) | KCNA5KCNH2CYP2D6KCNE1TSHR | |
| SCHEMBL28260638 | 0.93 | KCNA5 (0.46) | KCNA5KCNH2CYP2D6KCNE1TSHR | |
| SCHEMBL28130837 | 0.93 | KCNA5 (0.46) | KCNA5KCNH2CYP2D6KCNE1TSHR | |
| SCHEMBL29145046 | 0.93 | KCNA5 (0.46) | KCNA5KCNH2CYP2D6KCNE1TSHR | |
| Water SCHEMBL28366590 | 0.92 | KCNA5 (0.45) | KCNA5KCNH2CYP2D6KCNE1TSHR | |
| Ammonia Solution, Strong SCHEMBL28719662 | 0.92 | KCNA5 (0.45) | KCNA5KCNH2CYP2D6KCNE1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-116946989-A | Preparation method of phosphane/deuterated phosphane and derivatives thereof | 北京大学 | 2023-10-27 | — | — | CN | disclosed |
| CN-108863917-A | A kind of preparation method of 2,5- dimethoxy-pyridine | 穆云 | 2018-11-23 | — | — | CN | disclosed |