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 | 8/20 | 0.45 |
| ▸ | TSHR | P16473 | 5/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | PGR | P06401 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.62 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.62 |
| ▸ | HTR2B | P41595 | 2/20 | 0.62 |
| ▸ | HTR6 | P50406 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Mitotane SCHEMBL29360948 | 0.79 | TSHR (1.00) | TSHRHIF1AMAPK1CYP2C9CYP2C19 | |
| Mitotane SCHEMBL4040 | 0.79 | TSHR (1.00) | TSHRHIF1AMAPK1CYP2C9CYP2C19 | |
| Mitotane SCHEMBL4041 | 0.79 | TSHR (1.00) | TSHRHIF1AMAPK1CYP2C9CYP2C19 | |
| Mitotane SCHEMBL2352082 | 0.79 | TSHR (1.00) | TSHRHIF1AMAPK1CYP2C9CYP2C19 | |
| Tamoxifen SCHEMBL1345628 | 0.75 | ESR1 (0.64) | TSHRHIF1AMAPK1CYP2C9CYP2C19 | |
| Mitotane SCHEMBL8465001 | 0.72 | CNR1 (0.76) | TSHRHIF1AMAPK1CYP2C9CYP2C19 | |
| SCHEMBL25502360 | 0.70 | TSHR (0.73) | TSHRHIF1AMAPK1CYP2C9CYP2C19 | |
| Masoprocol SCHEMBL4448065 | 0.70 | HIF1A (0.58) | TSHRHIF1AMAPK1CYP2C9CYP2C19 | |
| Mitotane SCHEMBL8937953 | 0.70 | CNR1 (0.78) | TSHRHIF1AMAPK1CYP2C9CYP2C19 | |
| SCHEMBL29998343 | 0.69 | ESR1 (0.83) | PGRCYP3A4ESR1ESR2PTGS2 |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3668516-A1 | STABLE LYOPHILISATES COMPRISING 5,10-METHYLENE-(6R)-TETRAHYDROFOLIC ACID AND A DICARBOXYLIC ACID | Merck Patent GmbH (DE) | 2020-06-24 | — | — | EP | disclosed |
| WO-2019034673-A1 | STABLE LYOPHILISATES COMPRISING 5,10-METHYLENE-(6R)-TETRAHYDROFOLIC ACID AND A DICARBOXYLIC ACID | MERCK PATENT GMBH (DE) | 2019-02-21 | — | — | WO | disclosed |
| EP-2903992-A1 | 7-AZAINDOL-2,7-NAPHTHYRIDINE DERIVATIVE FOR THE TREATMENT OF TUMORS | Merck Patent GmbH (DE) | 2015-08-12 | — | — | EP | disclosed |
| EP-2812337-A1 | FURO [3, 2 - B]- AND THIENO [3, 2 - B]PYRIDINE DERIVATIVES AS TBK1 AND IKK INHIBITORS | Merck Patent GmbH (DE) | 2014-12-17 | — | — | EP | disclosed |
| WO-2014053208-A1 | 7-AZAINDOL-2,7-NAPHTHYRIDINE DERIVATIVE FOR THE TREATMENT OF TUMORS | MERCK PATENT GMBH (DE) | 2014-04-10 | — | — | WO | disclosed |
| EP-2632923-A1 | QUINAZOLINE DERIVATIVES | Merck Patent GmbH (DE) | 2013-09-04 | — | — | EP | disclosed |
| EP-2630129-A1 | QUINOXALINE DERIVATES | Merck Patent GmbH (DE) | 2013-08-28 | — | — | EP | disclosed |
| WO-2013117285-A1 | FURO [3, 2 - B] - AND THIENO [3, 2 - B] PYRIDINE DERIVATIVES AS TBK1 AND IKK INHIBITORS | MERCK PATENT GMBH (DE) | 2013-08-15 | — | — | WO | disclosed |
| EP-2606034-A1 | PYRIMIDINE DERIVATIVES AS FAK INHIBITORS | Merck Patent GmbH (DE) | 2013-06-26 | — | — | EP | disclosed |
| EP-2575792-A1 | BIGUANIDE COMPOUNDS AND ITS USE FOR TREATING CANCER | INSERM - Institut National de la Santé et de la Recherche Médicale (FR) | 2013-04-10 | — | — | EP | disclosed |
| WO-2010020308-A1 | 7-AZAINDOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2010-02-25 | — | — | WO | disclosed |
| WO-2010017870-A1 | BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS | MERCK PATENT GMBH (DE) | 2010-02-18 | — | — | WO | disclosed |
| WO-2009156041-A2 | THIAZOLYL PIPERDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2009-12-30 | — | — | WO | disclosed |
| WO-2009152920-A1 | 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2009-12-23 | — | — | WO | disclosed |
| WO-2009143945-A1 | DIHYDROPYRAZOLE DERIVATIVES AS TYROSINE KINASE MODULATORS FOR THE TREATMENT OF TUMORS | MERCK PATENT GMBH, (DE) | 2009-12-03 | — | — | WO | disclosed |
| WO-2009108670-A1 | PROTEIN KINASE INHIBITORS AND USE THEREOF | MERCK SERONO S.A. (CH) | 2009-09-03 | — | — | WO | disclosed |
| WO-2009083076-A1 | 2-BENZYLPYRIDAZINONE DERIVATIVES AS MET KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2009-07-09 | — | — | WO | disclosed |
| WO-2009007074-A1 | PYRIMIDINYL PYRIDAZINONE DERIVATES | MERCK PATENT GMBH (DE) | 2009-01-15 | — | — | WO | disclosed |
| EP-1885702-A2 | QUINAZOLINONES | Merck Patent GmbH (DE) | 2008-02-13 | — | — | EP | disclosed |
| WO-2006125555-A2 | QUINAZOLINONES | MERCK PATENT GMBH (DE) | 2006-11-30 | — | — | WO | disclosed |