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 | 12/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.55 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | FYN | P06241 | 1/20 | 0.55 |
| ▸ | PGR | P06401 | 1/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.55 |
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 SCHEMBL9373 | 0.87 | ESR1 (0.67) | ESR1ESR2NR1I2KMT2ASMN1; SMN2 | |
| SCHEMBL30306312 | 0.84 | BLM (0.67) | ESR1ESR2NR1I2KMT2ASMN1; SMN2 | |
| SCHEMBL9371 | 0.84 | BLM (0.67) | ESR1ESR2NR1I2KMT2ASMN1; SMN2 | |
| Diethylstilbestrol SCHEMBL28167476 | 0.80 | ESR1 (0.78) | ESR1ESR2NR1I2KMT2ASMN1; SMN2 | |
| Diethylstilbestrol SCHEMBL9372 | 0.80 | ESR1 (0.78) | ESR1ESR2NR1I2KMT2ASMN1; SMN2 | |
| Diethylstilbestrol SCHEMBL27584856 | 0.80 | ESR1 (0.78) | ESR1ESR2NR1I2KMT2ASMN1; SMN2 | |
| Diethylstilbestrol SCHEMBL707842 | 0.80 | ESR1 (0.78) | ESR1ESR2NR1I2KMT2ASMN1; SMN2 | |
| Diethylstilbestrol SCHEMBL28055584 | 0.80 | ESR1 (0.78) | ESR1ESR2NR1I2KMT2ASMN1; SMN2 | |
| Diethylstilbestrol SCHEMBL28644636 | 0.78 | ESR1 (0.75) | ESR1ESR2NR1I2KMT2ASMN1; SMN2 | |
| SCHEMBL707841 | 0.76 | BLM (0.87) | ESR1ESR2NR1I2KMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020061084-A1 | TARGET-PRIMED MACROPHAGES AND THERAPEUTIC USES THEREOF | LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) | 2020-03-26 | — | — | WO | disclosed |