Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30609972 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TP53CYP3A4 | |
| SCHEMBL5179069 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TP53CYP3A4 | |
| SCHEMBL29640472 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TP53CYP3A4 | |
| SCHEMBL28302 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TP53CYP3A4 | |
| SCHEMBL20082 | 0.71 | ALDH1A1 (0.40) | ALDH1A1TP53CYP3A4 | |
| Glycidol SCHEMBL27809952 | 0.69 | ALDH1A1 (0.39) | ALDH1A1TP53CYP3A4 | |
| Bicarbonate SCHEMBL20401648 | 0.69 | ALDH1A1 (0.39) | ALDH1A1TP53CYP3A4 | |
| SCHEMBL1648894 | 0.69 | — | — | |
| SCHEMBL1648895 | 0.69 | — | — | |
| SCHEMBL10704683 | 0.68 | MTNR1A (0.37) | ALDH1A1MTNR1ATP53 |
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-108938662-A | A kind of purposes of cationised polysaccharide in the drug of preparation prevention and treatment bacterial biof iotalm | 南京大学 | 2018-12-07 | — | — | CN | claimed |