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 | 13/20 | 0.78 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.78 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.78 |
| ▸ | PGR | P06401 | 2/20 | 0.78 |
| ▸ | MEN1 | O00255 | 1/20 | 0.78 |
| ▸ | NR1I2 | O75469 | 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 SCHEMBL28286402 | 1.00 | ESR1 (0.78) | ESR1ESR2PTGS2PGRMEN1 | |
| Diethylstilbestrol SCHEMBL2440008 | 1.00 | ESR1 (0.78) | ESR1ESR2PTGS2PGRMEN1 | |
| Diethylstilbestrol SCHEMBL27750980 | 0.91 | ESR1 (0.78) | ESR1ESR2PTGS2PGRMEN1 | |
| SCHEMBL5692961 | 0.89 | ESR1 (0.75) | ESR1ESR2PTGS2PGRMEN1 | |
| SCHEMBL5692963 | 0.89 | ESR1 (0.75) | ESR1ESR2PTGS2PGRMEN1 | |
| Diethylstilbestrol SCHEMBL27375279 | 0.89 | ESR1 (0.90) | ESR1ESR2PTGS2PGRMEN1 | |
| Diethylstilbestrol SCHEMBL9223 | 0.89 | ESR1 (1.00) | ESR1ESR2PTGS2PGRMEN1 | |
| Diethylstilbestrol SCHEMBL9224 | 0.89 | ESR1 (1.00) | ESR1ESR2PTGS2PGRMEN1 | |
| Diethylstilbestrol SCHEMBL6542190 | 0.89 | ESR1 (1.00) | ESR1ESR2PTGS2PGRMEN1 | |
| Diethylstilbestrol SCHEMBL27372002 | 0.89 | ESR1 (1.00) | ESR1ESR2PTGS2PGRMEN1 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111012734-B | Drug-loaded reticular in-situ phase-change gel sustained-release system and preparation method thereof | 四川大学 | 2021-08-20 | — | — | CN | claimed |
| CN-112996850-B | Cellulose composition and tablet | 旭化成株式会社 | 2022-06-03 | — | — | CN | disclosed |
| CN-111012734-B | Drug-loaded reticular in-situ phase-change gel sustained-release system and preparation method thereof | 四川大学 | 2021-08-20 | — | — | CN | disclosed |
| CN-112996850-A | Cellulose composition and tablet | 旭化成株式会社 | 2021-06-18 | — | — | CN | disclosed |
| US-6090805-A | Tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 2000-07-18 | — | — | US | disclosed |
| US-5968938-A | Piperazine oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1999-10-19 | — | — | US | disclosed |
| US-5756504-A | TREATMENT OF DYSMENORRHEA, PREVENTION OF PREMATURE LABOR | MERCK & CO., INC. (US) | 1998-05-26 | — | — | US | disclosed |
| US-5756497-A | BENZOXAZINE DERAVITIVE | MERCK & CO., INC. (US) | 1998-05-26 | — | — | US | disclosed |
| EP-0805681-A4 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5726172-A | BENZOXAZINONE DERIVATIVES; TREATMENT OF PRETERM LABOR, DYSMENORRHEA | MERCK & CO., INC. (US) | 1998-03-10 | — | — | US | disclosed |
| WO-1997025992-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-07-24 | — | — | WO | disclosed |
| EP-0751773-A4 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1997-07-16 | — | — | EP | disclosed |
| EP-0729472-A4 | PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO INC (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0760669-A1 | ANTIASTHMATIC PREPARATION | Hristov, Ivan Dimitrov (BG) | 1997-03-12 | — | — | EP | disclosed |
| EP-0751773-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1997-01-08 | — | — | EP | disclosed |
| WO-1996031222-A1 | ANTIASTHMATIC PREPARATION | HRISTOV IVAN DIMITROV (BG) | 1996-10-10 | — | — | WO | disclosed |
| EP-0729472-A1 | PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO. INC. (US) | 1996-09-04 | — | — | EP | disclosed |
| WO-1996022775-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1996-08-01 | — | — | WO | disclosed |
| WO-1995025443-A1 | TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-09-28 | — | — | WO | disclosed |
| WO-1995014025-A1 | PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO., INC. (US) | 1995-05-26 | — | — | WO | disclosed |