Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Gestodene. 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 | 8/20 | 0.83 |
| ▸ | LMNA | P02545 | 6/20 | 0.83 |
| ▸ | AR | P10275 | 6/20 | 0.83 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.83 |
| ▸ | ESR1 | P03372 | 4/20 | 0.83 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.83 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.56 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | SHBG | P04278 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Gestodene SCHEMBL8460856 | 0.97 | PGR (0.82) | PGRLMNAARSLC6A4ESR1 | |
| Gestodene SCHEMBL4467096 | 0.92 | PGR (0.91) | PGRLMNAARSLC6A4ESR1 | |
| Gestodene SCHEMBL354831 | 0.91 | PGR (0.93) | PGRLMNAARSLC6A4ESR1 | |
| Gestodene SCHEMBL5031715 | 0.91 | PGR (1.00) | PGRLMNAARSLC6A4ESR1 | |
| Gestodene SCHEMBL15263394 | 0.91 | PGR (1.00) | PGRLMNAARSLC6A4ESR1 | |
| Gestodene SCHEMBL2335657 | 0.91 | PGR (1.00) | PGRLMNAARSLC6A4ESR1 | |
| Gestodene SCHEMBL14983004 | 0.91 | PGR (1.00) | PGRLMNAARSLC6A4ESR1 | |
| Gestodene SCHEMBL1650027 | 0.91 | PGR (1.00) | PGRLMNAARSLC6A4ESR1 | |
| Gestodene SCHEMBL16661464 | 0.91 | PGR (1.00) | PGRLMNAARSLC6A4ESR1 | |
| Gestodene SCHEMBL37271 | 0.91 | PGR (1.00) | PGRLMNAARSLC6A4ESR1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5858394-A | Agent for transdermal administration that contains gestodene esters | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-01-12 | — | — | US | claimed |
| US-9005653-B2 | Transdermal delivery of hormones with low concentration of penetration enhancers | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-04-14 | — | — | US | disclosed |
| US-20140109916-A1 | Transdermal Delivery of Hormones without the Need of Penetration Enhancers | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-04-24 | — | — | US | disclosed |
| US-8668925-B2 | Transdermal delivery of hormones without the need of penetration enhancers | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-03-11 | — | — | US | disclosed |
| EP-2138169-B1 | Transdermal delivery system of hormones without penetration enhancers | BAYER IP GMBH (DE) | 2013-11-06 | — | — | EP | disclosed |
| EP-2138169-A2 | Transdermal delivery system of hormones without penetration enhancers | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-12-30 | — | — | EP | disclosed |
| WO-2005058287-A2 | TRANSDERMAL DELIVERY SYSTEM OF HORMONES WITHOUT PENETRATION ENHANCERS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-06-30 | — | — | WO | disclosed |
| US-20050142175-A1 | Transdermal delivery of hormones without the need of penetration enhancers | LUYE PHARMA SWITZERLAND AG (CH) | 2005-06-30 | — | — | US | disclosed |
| EP-1541137-A2 | Transdermal delivery system of hormones without penetration enhancers | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-06-15 | — | — | EP | disclosed |
| US-5858394-A | Agent for transdermal administration that contains gestodene esters | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-01-12 | — | — | US | disclosed |