Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.64 |
| ▸ | CYP19A1 | P11511 | 15/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | STS | P08842 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL773605 | 0.82 | ESR1 (0.73) | ESR1ESR2CYP19A1LMNAMAPK1 | |
| SCHEMBL795566 | 0.81 | ESR1 (0.76) | ESR1ESR2CYP19A1LMNAMAPK1 | |
| SCHEMBL773134 | 0.80 | ESR1 (0.74) | ESR1ESR2CYP19A1LMNAMAPK1 | |
| SCHEMBL772886 | 0.80 | ESR1 (0.64) | ESR1ESR2CYP19A1LMNAMAPK1 | |
| SCHEMBL18798687 | 0.78 | ESR1 (0.84) | ESR1ESR2CYP19A1LMNAMAPK1 | |
| SCHEMBL773684 | 0.78 | ESR1 (0.84) | ESR1ESR2CYP19A1LMNAMAPK1 | |
| SCHEMBL771976 | 0.78 | ESR1 (1.00) | ESR1ESR2CYP19A1LMNAMAPK1 | |
| SCHEMBL771815 | 0.78 | ESR1 (0.78) | ESR1ESR2CYP19A1LMNAMAPK1 | |
| SCHEMBL12544455 | 0.78 | ESR1 (1.00) | ESR1ESR2CYP19A1LMNAMAPK1 | |
| SCHEMBL773924 | 0.78 | ESR1 (1.00) | ESR1ESR2CYP19A1LMNAMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2616477-B1 | 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS ER-BETA AGONISTS | ENDECE LLC (US) | 2016-11-09 | — | — | EP | claimed |
| US-9422324-B2 | 6-substituted demethyl-estradiol derivatives as selective ER-β agonists | ENDECE LLC (US) | 2016-08-23 | — | — | US | claimed |
| EP-2616477-B1 | 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS ER-BETA AGONISTS | ENDECE LLC (US) | 2016-11-09 | — | — | EP | disclosed |