Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 18/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5196415 | 0.76 | ESR1 (0.43) | ESR1ESR2 | |
| SCHEMBL8289975 | 0.70 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL12896161 | 0.70 | ESR1 (0.40) | ESR1ESR2MEN1KMT2ATDP1 | |
| SCHEMBL15211660 | 0.70 | ESR1 (0.39) | ESR1 | |
| SCHEMBL29980342 | 0.70 | HTT (0.44) | ESR1ESR2 | |
| SCHEMBL3874783 | 0.70 | HTT (0.44) | ESR1ESR2 | |
| SCHEMBL1616936 | 0.69 | ESR1 (0.51) | ESR1ESR2MEN1KMT2ATDP1 | |
| SCHEMBL2627660 | 0.68 | ESR1 (0.39) | ESR1ESR2 | |
| SCHEMBL12922994 | 0.67 | BCKDK (0.38) | MEN1KMT2ATDP1 | |
| SCHEMBL5040157 | 0.66 | ESR1 (0.58) | ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3438109-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2019-02-06 | — | — | EP | disclosed |