Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Etonogestrel. 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 | |
|---|---|---|---|---|
| ▸ | PGR known ✓ | P06401 | 6/20 | 0.87 |
| ▸ | SHBG | P04278 | 8/20 | 0.87 |
| ▸ | ESR1 | P03372 | 6/20 | 0.87 |
| ▸ | AR | P10275 | 4/20 | 0.87 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.87 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.85 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.85 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.85 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.85 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.85 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.85 |
| ▸ | DRD1 | P21728 | 1/20 | 0.85 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.85 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.85 |
| ▸ | CCKBR | P32239 | 1/20 | 0.85 |
| ▸ | DRD3 | P35462 | 1/20 | 0.85 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.85 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.85 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.85 |
| ▸ | LMNA | P02545 | 6/20 | 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 | |
|---|---|---|---|---|
| Etonogestrel SCHEMBL8731710 | 0.95 | PGR (0.79) | SHBGPGRESR1AROPRM1 | |
| Etonogestrel SCHEMBL19510085 | 0.93 | SHBG (1.00) | SHBGPGRESR1AROPRM1 | |
| Etonogestrel SCHEMBL6462179 | 0.93 | SHBG (1.00) | SHBGPGRESR1AROPRM1 | |
| Etonogestrel SCHEMBL484265 | 0.93 | SHBG (1.00) | SHBGPGRESR1AROPRM1 | |
| Etonogestrel SCHEMBL14946854 | 0.93 | SHBG (1.00) | SHBGPGRESR1AROPRM1 | |
| Etonogestrel SCHEMBL117703 | 0.93 | SHBG (1.00) | SHBGPGRESR1AROPRM1 | |
| Etonogestrel SCHEMBL1649327 | 0.93 | SHBG (1.00) | SHBGPGRESR1AROPRM1 | |
| Etonogestrel SCHEMBL5803370 | 0.93 | PGR (0.74) | SHBGPGRESR1AROPRM1 | |
| Etonogestrel SCHEMBL28648883 | 0.92 | SHBG (0.98) | SHBGPGRESR1AROPRM1 | |
| Desogestrel SCHEMBL20353079 | 0.92 | SHBG (1.00) | SHBGPGRESR1AROPRM1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2892909-A1 | PROCESS FOR PREPARING 11 -METHYLENE-18-METHYL-ESTR-4-EN-3, 17- DIONE, USEFUL AS INTERMEDIATE COMPOUND FOR THE SYNTHESIS OF MOLECULES HAVING A PHARMACOLOGICAL ACTIVITY | Industriale Chimica S.R.L. (IT) | 2015-07-15 | — | — | EP | claimed |
| WO-2014037873-A1 | PROCESS FOR PREPARING 11 -METHYLENE-18-METHYL-ESTR-4-EN-3, 17- DIONE, USEFUL AS INTERMEDIATE COMPOUND FOR THE SYNTHESIS OF MOLECULES HAVING A PHARMACOLOGICAL ACTIVITY | INDUSTRIALE CHIMICA S.R.L. (IT) | 2014-03-13 | — | — | WO | claimed |
| EP-3423464-A1 | PROCESS AND NEW INTERMEDIATES FOR THE PREPARATION OF 11-METHYLENE STEROIDS | Bionice, S.L.U. (ES) | 2019-01-09 | — | — | EP | disclosed |
| EP-2892909-A1 | PROCESS FOR PREPARING 11 -METHYLENE-18-METHYL-ESTR-4-EN-3, 17- DIONE, USEFUL AS INTERMEDIATE COMPOUND FOR THE SYNTHESIS OF MOLECULES HAVING A PHARMACOLOGICAL ACTIVITY | Industriale Chimica S.R.L. (IT) | 2015-07-15 | — | — | EP | disclosed |
| EP-2825547-A1 | COMBINED SYNTHESIS ROUTE FOR ETONOGESTREL AND DESOGESTREL | Merck Sharp & Dohme B.V. (NL) | 2015-01-21 | — | — | EP | disclosed |
| WO-2014037873-A1 | PROCESS FOR PREPARING 11 -METHYLENE-18-METHYL-ESTR-4-EN-3, 17- DIONE, USEFUL AS INTERMEDIATE COMPOUND FOR THE SYNTHESIS OF MOLECULES HAVING A PHARMACOLOGICAL ACTIVITY | INDUSTRIALE CHIMICA S.R.L. (IT) | 2014-03-13 | — | — | WO | disclosed |
| WO-2013135744-A1 | COMBINED SYNTHESIS ROUTE FOR ETONOGESTREL AND DESOGESTREL | MSD OSS B.V. (NL) | 2013-09-19 | — | — | WO | disclosed |
| WO-2013071210-A1 | METHODS FOR THE PREPARATION OF ETONOGESTREL AND DESOGESTREL | EVESTRA, INC. (US) | 2013-05-16 | — | — | WO | disclosed |