Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL8950600 | 1.00 | ESR1 (0.34) | ESR1ESR2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL31563692 | 1.00 | ESR1 (0.34) | ESR1ESR2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL13831267 | 0.85 | — | — | |
| Ethylene Glycol SCHEMBL15875775 | 0.80 | — | — | |
| SCHEMBL26371 | 0.76 | — | — | |
| SCHEMBL4950916 | 0.76 | — | — | |
| SCHEMBL2267415 | 0.76 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL130642 | 0.76 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL27912 | 0.76 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL1316560 | 0.76 | ESR2 (0.46) | ESR1ESR2CYP3A4CYP2C9CYP2D6 |
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-2020264490-A1 | IRAK DEGRADERS AND USES THEREOF | KYMERA THERAPEUTICS, INC. (US) | 2020-12-30 | — | — | WO | disclosed |