Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL62388 | 0.79 | — | — | |
| SCHEMBL28095863 | 0.78 | ALDH1A1 (0.35) | ALDH1A1TDP1THRB | |
| SCHEMBL28118298 | 0.77 | LMNA (0.36) | ALDH1A1TDP1 | |
| SCHEMBL27798646 | 0.77 | LMNA (0.36) | ALDH1A1TDP1 | |
| SCHEMBL6324979 | 0.76 | THRB (0.35) | ALDH1A1TDP1THRB | |
| Alcohol SCHEMBL27769789 | 0.75 | ALDH1A1 (0.37) | ALDH1A1TDP1 | |
| Nitric Oxide SCHEMBL5490095 | 0.75 | LMNA (0.35) | ALDH1A1TDP1 | |
| SCHEMBL3800523 | 0.74 | — | — | |
| SCHEMBL6671110 | 0.72 | — | — | |
| SCHEMBL31053717 | 0.72 | — | — |
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-109776330-A | A method of with micro passage reaction 1,2,4- butanetriol trinitrate | 常州大学 | 2019-05-21 | — | — | CN | disclosed |