Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12255004 | 0.79 | ALDH1A1 (0.43) | TSHRMAPK1ALDH1A1 | |
| SCHEMBL991397 | 0.76 | — | — | |
| SCHEMBL26672738 | 0.76 | ALDH1A1 (0.50) | TSHRMAPK1ALDH1A1 | |
| SCHEMBL6453999 | 0.76 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL2821051 | 0.75 | — | — | |
| SCHEMBL13500045 | 0.75 | ALDH1A1 (0.42) | TSHRMAPK1ALDH1A1 | |
| Propylene Oxide SCHEMBL3101685 | 0.74 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL12453677 | 0.71 | — | — | |
| SCHEMBL50007 | 0.71 | TSHR (0.63) | TSHRMAPK1ALDH1A1 | |
| SCHEMBL12901768 | 0.71 | ALDH1A1 (0.40) | TSHRMAPK1ALDH1A1 |
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-116601158-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-08-15 | — | — | CN | disclosed |