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 | 0.86 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.86 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.86 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.86 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.86 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.86 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.86 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.86 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.86 |
| ▸ | MEN1 | O00255 | 1/20 | 0.86 |
| ▸ | USP2 | O75604 | 1/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.86 |
| ▸ | LMNA | P02545 | 1/20 | 0.86 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.86 |
| ▸ | TP53 | P04637 | 1/20 | 0.86 |
| ▸ | FYN | P06241 | 1/20 | 0.86 |
| ▸ | PGR | P06401 | 1/20 | 0.86 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.86 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.86 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.86 |
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 SCHEMBL11473862 | 1.00 | ESR1 (0.86) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL6542190 | 0.93 | ESR1 (1.00) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL9224 | 0.93 | ESR1 (1.00) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL27372002 | 0.93 | ESR1 (1.00) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL9223 | 0.93 | ESR1 (1.00) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL17594535 | 0.90 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL21351798 | 0.90 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL27511281 | 0.90 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL11333418 | 0.90 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL28317397 | 0.90 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113861517-B | Konjac glucomannan porous composite membrane, preparation method and application thereof | 云南中烟工业有限责任公司 | 2022-11-18 | — | — | CN | disclosed |
| CN-113861517-A | Konjac glucomannan porous composite membrane, preparation method and application thereof | 云南中烟工业有限责任公司 | 2021-12-31 | — | — | CN | disclosed |
| US-7996156-B2 | Methods for predicting properties of molecules | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-08-09 | — | — | US | disclosed |
| US-20070166364-A1 | Transdermal Therapeutic System | BEIER CORNELIA | 2007-07-19 | — | — | US | disclosed |
| US-7220473-B2 | Storage stability | HEXAL AG (DE) | 2007-05-22 | — | — | US | disclosed |
| US-20040047901-A1 | Storage stability | HEXAL AG (DE) | 2004-03-11 | — | — | US | disclosed |
| US-4225734-A | Process for producing symmetrical olefins | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1980-09-30 | — | — | US | disclosed |