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 | |
|---|---|---|---|---|
| SCHEMBL23779985 | 1.00 | PDXK (0.36) | PDXKHDAC8 | |
| SCHEMBL24332968 | 0.82 | PDXK (0.34) | PDXKHDAC8 | |
| SCHEMBL27223924 | 0.80 | PDXK (0.37) | PDXKHDAC8 | |
| SCHEMBL9798625 | 0.76 | ALDH1A1 (0.36) | — | |
| Ligustrazine SCHEMBL29236276 | 0.76 | HDAC8 (0.31) | PDXKHDAC8 | |
| SCHEMBL22889714 | 0.70 | NPSR1 (0.42) | — | |
| SCHEMBL22889716 | 0.70 | NPSR1 (0.42) | PDXK | |
| SCHEMBL872286 | 0.70 | HDAC8 (0.37) | HDAC8 | |
| SCHEMBL15215741 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL934260 | 0.68 | — | — |
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-113163841-B | Aerosol formulation | 尼科创业贸易有限公司 | 2022-10-04 | — | — | CN | disclosed |