Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29757338 | 1.00 | ABCG2 (0.33) | ABCG2CACNA2D1CACNB2CACNA1C | |
| SCHEMBL30461108 | 0.77 | HMGCR (0.33) | — | |
| SCHEMBL30716638 | 0.74 | TSHR (0.33) | ABCG2CACNA2D1CACNB2CACNA1C | |
| SCHEMBL30451516 | 0.71 | ABCG2 (0.33) | ABCG2CACNA2D1CACNB2CACNA1C | |
| SCHEMBL28561346 | 0.71 | HMGCR (0.33) | — | |
| SCHEMBL28561349 | 0.71 | HMGCR (0.33) | — | |
| SCHEMBL303163 | 0.68 | HMGCR (0.37) | — | |
| SCHEMBL28301493 | 0.67 | — | — | |
| SCHEMBL8769477 | 0.66 | — | — | |
| SCHEMBL2827641 | 0.65 | TSHR (0.43) | — |
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-114814016-B | Method for rapidly detecting whether rhizoma atractylodis is doped in rhizoma atractylodis medicinal material | 湖北省药品监督检验研究院 | 2024-08-02 | — | — | CN | disclosed |