Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | SHBG | P04278 | 4/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.45 |
| ▸ | PGR | P06401 | 3/20 | 0.45 |
| ▸ | AR | P10275 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | HTR2B | P41595 | 3/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | SULT1A1 | P50225 | 2/20 | 0.45 |
| ▸ | AOX1 | Q06278 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6257381 | 1.00 | ESR1 (0.45) | ESR1ESR2CYP3A4SHBGABCB11 | |
| SCHEMBL2066331 | 0.81 | ESR1 (0.66) | ESR1ESR2CYP3A4SHBGABCB11 | |
| SCHEMBL9019408 | 0.81 | ESR1 (0.66) | ESR1ESR2CYP3A4SHBGABCB11 | |
| SCHEMBL5713538 | 0.81 | ESR1 (0.66) | ESR1ESR2CYP3A4SHBGABCB11 | |
| SCHEMBL2066330 | 0.81 | ESR1 (0.66) | ESR1ESR2CYP3A4SHBGABCB11 | |
| SCHEMBL6260538 | 0.81 | ESR1 (0.66) | ESR1ESR2CYP3A4SHBGABCB11 | |
| SCHEMBL6258256 | 0.81 | ESR1 (0.66) | ESR1ESR2CYP3A4SHBGABCB11 | |
| SCHEMBL11981697 | 0.78 | SHBG (0.62) | ESR1ESR2CYP3A4SHBGABCB11 | |
| SCHEMBL5677797 | 0.78 | SHBG (0.45) | ESR1ESR2CYP3A4SHBGABCB11 | |
| SCHEMBL5679614 | 0.78 | SHBG (0.45) | ESR1ESR2CYP3A4SHBGABCB11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1580192-A2 | 16-Hydroxyestratrienes as selective estrogens | Schering AG (DE) | 2005-09-28 | — | — | EP | claimed |
| EP-1580192-A2 | 16-Hydroxyestratrienes as selective estrogens | Schering AG (DE) | 2005-09-28 | — | — | EP | disclosed |