Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL14103636 | 0.79 | TSHR (0.48) | ESR2TSHRTP53MAPK1ALDH1A1 | |
| SCHEMBL13321024 | 0.76 | ESR2 (0.32) | ESR2EPHX2 | |
| SCHEMBL2380934 | 0.71 | — | — | |
| SCHEMBL12677139 | 0.71 | — | — | |
| SCHEMBL11308073 | 0.71 | TP53 (0.31) | TSHRTP53 | |
| SCHEMBL11308076 | 0.71 | TP53 (0.31) | TSHRTP53 | |
| SCHEMBL720412 | 0.70 | — | — | |
| SCHEMBL5864321 | 0.70 | — | — | |
| Hydrogen Sulfide SCHEMBL15657642 | 0.69 | — | — | |
| SCHEMBL5864409 | 0.67 | — | — |
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-2019065791-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 | 2019-04-04 | — | — | WO | disclosed |