Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 20/20 | 0.78 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL31280012 | 0.91 | ESR1 (0.81) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL767222 | 0.91 | ESR1 (0.81) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL31279858 | 0.91 | ESR1 (0.84) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL767459 | 0.91 | ESR1 (0.84) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL767458 | 0.91 | ESR1 (0.84) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL767223 | 0.91 | ESR1 (0.81) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL767460 | 0.91 | ESR1 (0.84) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL767457 | 0.91 | ESR1 (0.84) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL805943 | 0.90 | ESR1 (0.81) | ESR1NR3C1CYP2C9CYP2C19SLC6A3 | |
| SCHEMBL805890 | 0.88 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012037411-A9 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |
| WO-2012037410-A9 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | WO | disclosed |
| WO-2012037411-A2 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012037410-A2 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-03-22 | — | — | WO | disclosed |