Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.74 |
| ▸ | ALDH3A1 | P30838 | 6/20 | 0.74 |
| ▸ | ALDH2 | P05091 | 4/20 | 0.74 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.65 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.65 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.65 |
| ▸ | CES1 | P23141 | 4/20 | 0.63 |
| ▸ | ACHE | P22303 | 4/20 | 0.61 |
| ▸ | CASP3 | P42574 | 2/20 | 0.53 |
| ▸ | BCHE | P06276 | 2/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | APAF1 | O14727 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL15206958 | 0.97 | ALDH1A1 (0.78) | ALDH1A1ALDH3A1ALDH2CHRM5CHRM1 | |
| SCHEMBL5659265 | 0.85 | ALDH1A1 (1.00) | ALDH1A1ALDH3A1ALDH2CHRM5CHRM1 | |
| SCHEMBL28026703 | 0.84 | ACHE (0.67) | ALDH1A1ALDH3A1ALDH2CHRM5CHRM1 | |
| Nitrogen SCHEMBL28298896 | 0.82 | ALDH1A1 (0.93) | ALDH1A1ALDH3A1ALDH2CHRM5CHRM1 | |
| SCHEMBL29648466 | 0.81 | ALDH1A1 (0.78) | ALDH1A1ALDH3A1ALDH2CHRM5CHRM1 | |
| Nitrogen SCHEMBL27935052 | 0.80 | ALDH1A1 (0.90) | ALDH1A1ALDH3A1ALDH2CHRM5CHRM1 | |
| SCHEMBL28370799 | 0.80 | ALDH1A1 (0.58) | ALDH1A1ALDH3A1ALDH2CHRM5CHRM1 | |
| SCHEMBL4782178 | 0.80 | CHRM5 (0.68) | ALDH1A1ALDH3A1ALDH2CHRM5CHRM1 | |
| SCHEMBL15215034 | 0.79 | ALDH1A1 (0.67) | ALDH1A1ALDH3A1ALDH2CHRM5CHRM1 | |
| SCHEMBL27866584 | 0.79 | ALDH1A1 (0.67) | ALDH1A1ALDH3A1ALDH2CHRM5CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109776384-A | The double quaternary carbon dual oxide benzazolyl compounds of 3- aryl -3 '-amino and its synthetic method and application | 华东师范大学 | 2019-05-21 | — | — | CN | disclosed |