Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethylstilbestrol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 14/20 | 0.95 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.95 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.95 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.95 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.95 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.95 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.95 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.95 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.95 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.95 |
| ▸ | MEN1 | O00255 | 1/20 | 0.95 |
| ▸ | USP2 | O75604 | 1/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.95 |
| ▸ | LMNA | P02545 | 1/20 | 0.95 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.95 |
| ▸ | TP53 | P04637 | 1/20 | 0.95 |
| ▸ | FYN | P06241 | 1/20 | 0.95 |
| ▸ | PGR | P06401 | 1/20 | 0.95 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.95 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.95 |
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 | |
|---|---|---|---|---|
| Diethylstilbestrol SCHEMBL9224 | 0.97 | ESR1 (1.00) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL27372002 | 0.97 | ESR1 (1.00) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL6542190 | 0.97 | ESR1 (1.00) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL9223 | 0.97 | ESR1 (1.00) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL27511281 | 0.95 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL28317397 | 0.95 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL17594535 | 0.95 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL11333418 | 0.95 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL21351798 | 0.95 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL27619582 | 0.95 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107290324-B | Application method for detecting hormone in food by combining SERS (surface enhanced Raman scattering) substrate | 中国人民解放军军事科学院军事医学研究院 | 2020-09-08 | — | — | CN | claimed |
| CN-107290324-A | The application process of hormone in a kind of combination SERS substrates detection food | 中国人民解放军军事医学科学院放射与辐射医学研究所 | 2017-10-24 | — | — | CN | claimed |
| CN-107290324-B | Application method for detecting hormone in food by combining SERS (surface enhanced Raman scattering) substrate | 中国人民解放军军事科学院军事医学研究院 | 2020-09-08 | — | — | CN | disclosed |
| CN-107290324-A | The application process of hormone in a kind of combination SERS substrates detection food | 中国人民解放军军事医学科学院放射与辐射医学研究所 | 2017-10-24 | — | — | CN | disclosed |