Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 20/20 | 0.82 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.73 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.73 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL28462722 | 1.00 | ESR1 (0.82) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL792882 | 0.90 | ESR1 (1.00) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL792883 | 0.90 | ESR1 (1.00) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL767300 | 0.90 | ESR1 (1.00) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL768227 | 0.90 | ESR1 (0.84) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL31280843 | 0.90 | ESR1 (1.00) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL767299 | 0.90 | ESR1 (1.00) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL768228 | 0.90 | ESR1 (0.84) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL31280227 | 0.85 | ESR1 (0.81) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL767326 | 0.85 | ESR1 (0.81) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 |
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-107973780-B | Substituted olefin compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2020-10-09 | — | — | CN | disclosed |