Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 7/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | ALDH2 | P05091 | 4/20 | 0.67 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | CDC25A | P30304 | 1/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3025055 | 0.93 | CES1 (0.65) | ALDH3A1ALDH1A1ALDH2CES1CDC25A | |
| SCHEMBL29011261 | 0.93 | ALDH3A1 (0.59) | ALDH3A1ALDH1A1ALDH2CES1CDC25A | |
| SCHEMBL16366714 | 0.91 | ALDH1A1 (0.64) | ALDH3A1ALDH1A1ALDH2CES1CDC25A | |
| SCHEMBL29011259 | 0.91 | ALDH3A1 (0.60) | ALDH3A1ALDH1A1ALDH2CES1CHRM5 | |
| SCHEMBL11150299 | 0.90 | ALDH1A1 (0.63) | ALDH3A1ALDH1A1ALDH2CHRM5 | |
| SCHEMBL29011260 | 0.89 | ALDH3A1 (0.62) | ALDH3A1ALDH1A1ALDH2CES1CHRM5 | |
| SCHEMBL16046979 | 0.89 | ALDH1A1 (0.62) | ALDH3A1ALDH1A1ALDH2CES1CDC25A | |
| SCHEMBL17286209 | 0.85 | ALDH3A1 (0.65) | ALDH3A1ALDH1A1ALDH2CES1CHRM5 | |
| SCHEMBL16048101 | 0.85 | ALDH3A1 (0.65) | ALDH3A1ALDH1A1ALDH2CHRM5 | |
| SCHEMBL29220078 | 0.85 | ALDH3A1 (0.65) | ALDH3A1ALDH1A1ALDH2CES1CHRM5 |
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-112538041-A | Bimolecular indole-2, 3-dione derivative and application thereof | 浙江大学 | 2021-03-23 | — | — | CN | claimed |