Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL10866598 | 0.83 | FFAR3 (0.47) | TSHRALDH1A1TP53 | |
| Trichloroacetic Acid SCHEMBL10549726 | 0.83 | TSHR (0.67) | TSHRALDH1A1TP53 | |
| Acetone SCHEMBL8932744 | 0.79 | LMNA (0.43) | TSHRALDH1A1TP53 | |
| Trichlorethanol SCHEMBL28825711 | 0.79 | TSHR (0.41) | TSHRALDH1A1TP53 | |
| Propionic Acid SCHEMBL5972065 | 0.78 | FFAR3 (0.59) | TSHRALDH1A1TP53 | |
| Tetrachloroethylene SCHEMBL4503102 | 0.77 | TSHR (0.42) | TSHR | |
| Methylene Chloride SCHEMBL28160039 | 0.76 | — | — | |
| Methylene Chloride SCHEMBL7847615 | 0.76 | TSHR (0.54) | TSHRALDH1A1TP53 | |
| SCHEMBL11087346 | 0.76 | — | — | |
| SCHEMBL2565 | 0.76 | — | — |
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-110317183-B | Method for purifying natural extract product of taxus chinensis | 无锡紫杉药业有限公司 | 2021-03-12 | — | — | CN | disclosed |