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 | 15/20 | 0.78 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.78 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.78 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.78 |
| ▸ | PGR | P06401 | 2/20 | 0.78 |
| ▸ | MEN1 | O00255 | 1/20 | 0.78 |
| ▸ | USP2 | O75604 | 1/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.78 |
| ▸ | LMNA | P02545 | 1/20 | 0.78 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.78 |
| ▸ | TP53 | P04637 | 1/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.78 |
| ▸ | FYN | P06241 | 1/20 | 0.78 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.78 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.78 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.78 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.78 |
| ▸ | AR | P10275 | 1/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.78 |
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 SCHEMBL27649015 | 0.89 | ESR1 (0.82) | ESR1ESR2PTGS2NR1I2PGR | |
| Diethylstilbestrol SCHEMBL27375279 | 0.89 | ESR1 (0.90) | ESR1ESR2PTGS2NR1I2PGR | |
| Diethylstilbestrol SCHEMBL9223 | 0.89 | ESR1 (1.00) | ESR1ESR2PTGS2NR1I2PGR | |
| Diethylstilbestrol SCHEMBL27372002 | 0.89 | ESR1 (1.00) | ESR1ESR2PTGS2NR1I2PGR | |
| Diethylstilbestrol SCHEMBL9224 | 0.89 | ESR1 (1.00) | ESR1ESR2PTGS2NR1I2PGR | |
| Diethylstilbestrol SCHEMBL6542190 | 0.89 | ESR1 (1.00) | ESR1ESR2PTGS2NR1I2PGR | |
| Diethylstilbestrol SCHEMBL28326292 | 0.87 | ESR1 (0.78) | ESR1ESR2PTGS2NR1I2PGR | |
| Diethylstilbestrol SCHEMBL21351798 | 0.86 | ESR1 (0.95) | ESR1ESR2PTGS2NR1I2PGR | |
| Diethylstilbestrol SCHEMBL11333418 | 0.86 | ESR1 (0.95) | ESR1ESR2PTGS2NR1I2PGR | |
| Diethylstilbestrol SCHEMBL17594535 | 0.86 | ESR1 (0.95) | ESR1ESR2PTGS2NR1I2PGR |
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 |
|---|---|---|---|---|---|---|---|
| CN-108181419-B | Detection method of diethyl naphthalene cholamine raw material or preparation related substances thereof | 扬子江药业集团有限公司 | 2020-05-05 | — | — | CN | disclosed |