Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL14185482 | 0.92 | MAPK1 (0.36) | CYP3A4TSHRMAPK1 | |
| SCHEMBL20109373 | 0.82 | CYP3A4 (0.48) | CYP3A4TSHRMAPK1 | |
| SCHEMBL19535201 | 0.76 | CYP3A4 (0.52) | CYP3A4TSHRMAPK1 | |
| SCHEMBL20437528 | 0.75 | CYP3A4 (0.36) | CYP3A4TSHRMAPK1 | |
| SCHEMBL24233251 | 0.75 | — | — | |
| SCHEMBL23041366 | 0.74 | CD44 (0.48) | CYP3A4TSHRMAPK1 | |
| SCHEMBL12181242 | 0.72 | CYP3A4 (0.37) | CYP3A4TSHRMAPK1 | |
| SCHEMBL19738526 | 0.72 | CYP3A4 (0.39) | CYP3A4TSHRMAPK1 | |
| SCHEMBL19535277 | 0.72 | POLB (0.33) | CYP3A4TSHRMAPK1 | |
| SCHEMBL24899747 | 0.71 | CYP3A4 (0.52) | CYP3A4TSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018138739-A1 | NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS | SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) | 2018-08-02 | — | — | WO | disclosed |