Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL27611748 | 0.88 | ALDH1A1 (0.44) | ALDH1A1TSHRMAPK1TDP1 | |
| SCHEMBL4485842 | 0.77 | — | — | |
| Acetaldehyde SCHEMBL27396044 | 0.74 | — | — | |
| SCHEMBL298780 | 0.73 | — | — | |
| SCHEMBL7891 | 0.73 | — | — | |
| SCHEMBL9040211 | 0.73 | — | — | |
| Alcohol SCHEMBL28331212 | 0.71 | — | — | |
| Valine SCHEMBL7207895 | 0.71 | SLC7A5 (0.65) | — | |
| Alanine SCHEMBL11041073 | 0.70 | SLC7A5 (0.41) | — | |
| SCHEMBL9001123 | 0.69 | — | — |
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-112010743-A | Green method for preparing chloroacetaldehyde dialkyl acetal from vinyl ether | 石家庄欧特佳化工有限公司 | 2020-12-01 | — | — | CN | disclosed |