Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| Propionitrile SCHEMBL29047725 | 1.00 | ALDH1A1 (0.56) | ALDH1A1TSHR | |
| Propionitrile SCHEMBL3383242 | 0.79 | — | — | |
| Alcohol SCHEMBL11666408 | 0.77 | ALDH1A1 (0.35) | ALDH1A1TSHR | |
| Propionitrile SCHEMBL15170014 | 0.76 | ALDH1A1 (0.69) | ALDH1A1TSHR | |
| Propionitrile SCHEMBL27958978 | 0.76 | — | — | |
| Propionitrile SCHEMBL14482752 | 0.76 | ALDH1A1 (0.69) | ALDH1A1TSHR | |
| Alcohol SCHEMBL820597 | 0.75 | TSHR (0.55) | ALDH1A1TSHR | |
| Propane SCHEMBL3395511 | 0.75 | TSHR (0.44) | ALDH1A1TSHR | |
| Propionitrile SCHEMBL28077483 | 0.75 | — | — | |
| Propane SCHEMBL14841763 | 0.75 | TSHR (0.44) | ALDH1A1TSHR |
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-116272944-A | Hydrotalcite-based strong-alkalinity solid catalyst and method for catalyzing alcohol propionitrile alkylation by using same | 常州大学 | 2023-06-23 | — | — | CN | disclosed |