Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.32 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3923588 | 0.84 | — | — | |
| SCHEMBL15298798 | 0.82 | HMGCR (0.48) | TSHRABCG2CACNA2D1CACNB2CACNA1C | |
| SCHEMBL8769846 | 0.79 | — | — | |
| SCHEMBL303163 | 0.78 | HMGCR (0.37) | TSHR | |
| SCHEMBL8769477 | 0.75 | — | — | |
| SCHEMBL30461109 | 0.75 | TSHR (0.50) | TSHRABCG2CACNA2D1CACNB2CACNA1C | |
| SCHEMBL29757338 | 0.74 | ABCG2 (0.33) | ABCG2CACNA2D1CACNB2CACNA1C | |
| SCHEMBL31069799 | 0.74 | ABCG2 (0.33) | ABCG2CACNA2D1CACNB2CACNA1C | |
| SCHEMBL8769466 | 0.74 | — | — | |
| SCHEMBL30451516 | 0.71 | ABCG2 (0.33) | ABCG2CACNA2D1CACNB2CACNA1C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116270849-B | Preparation method of plaster for treating cancer pain | 湖南省中医药研究院附属医院 | 2024-01-26 | — | — | CN | disclosed |
| CN-117347536-A | UPLC-Q-TOF-MS analysis method and application of Taohong four-ingredient soup | 神威药业集团有限公司 | 2024-01-05 | — | — | CN | disclosed |