Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | AKT2 | P31751 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16296809 | 0.81 | ESR2 (0.40) | AKT1AKT2ESR2PDCD1CD274 | |
| SCHEMBL29114020 | 0.74 | PARP10 (0.39) | AKT1AKT2ESR2PSMB5PDCD1 | |
| SCHEMBL8848267 | 0.73 | ALDH1A1 (0.37) | CYP2A6 | |
| SCHEMBL22255953 | 0.73 | — | — | |
| SCHEMBL31432621 | 0.73 | ALDH1A1 (0.37) | CYP2A6 | |
| SCHEMBL21636879 | 0.72 | — | — | |
| SCHEMBL7550211 | 0.72 | PDCD1 (0.48) | AKT1AKT2PSMB5PDCD1CD274 | |
| SCHEMBL25330371 | 0.70 | BRD4 (0.36) | AKT2 | |
| SCHEMBL6548166 | 0.70 | KDM4E (0.40) | ESR2PDCD1CD274CYP2A6CYP2B6 | |
| SCHEMBL27898117 | 0.70 | ALDH1A1 (0.43) | ESR2CYP2A6CYP2B6 |
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-3233828-B1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2020-03-04 | — | — | EP | disclosed |