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 | 7/20 | 1.00 |
| ▸ | AR | P10275 | 6/20 | 1.00 |
| ▸ | LMNA | P02545 | 5/20 | 1.00 |
| ▸ | SLC6A4 | P31645 | 4/20 | 1.00 |
| ▸ | ESR1 | P03372 | 4/20 | 1.00 |
| ▸ | OPRM1 | P35372 | 2/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.66 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.66 |
| ▸ | SHBG | P04278 | 4/20 | 0.66 |
| ▸ | MEN1 | O00255 | 3/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.66 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
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 SCHEMBL5031715 | 1.00 | PGR (1.00) | PGRARLMNASLC6A4ESR1 | |
| Gestodene SCHEMBL37271 | 1.00 | PGR (1.00) | PGRARLMNASLC6A4ESR1 | |
| Gestodene SCHEMBL14983004 | 1.00 | PGR (1.00) | PGRARLMNASLC6A4ESR1 | |
| Gestodene SCHEMBL15263394 | 1.00 | PGR (1.00) | PGRARLMNASLC6A4ESR1 | |
| Gestodene SCHEMBL16661464 | 1.00 | PGR (1.00) | PGRARLMNASLC6A4ESR1 | |
| Gestodene SCHEMBL1650027 | 1.00 | PGR (1.00) | PGRARLMNASLC6A4ESR1 | |
| Gestodene SCHEMBL354831 | 0.96 | PGR (0.93) | PGRARLMNASLC6A4ESR1 | |
| Gestodene SCHEMBL4467096 | 0.95 | PGR (0.91) | PGRARLMNASLC6A4ESR1 | |
| Gestodene SCHEMBL1467970 | 0.92 | PGR (0.84) | PGRARLMNASLC6A4ESR1 | |
| Gestodene SCHEMBL4473794 | 0.91 | PGR (0.83) | PGRARLMNASLC6A4ESR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2534165-A2 | A PROCESS FOR INTRODUCING A DOUBLE BOND INTO POSITION 15,16 OF A STEROID | Laboratoire Theramex (MC) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011098439-A2 | A PROCESS FOR INTRODUCING A DOUBLE BOND INTO POSITION 15,16 OF A STEROID | LABORATOIRE THERAMEX (MC) | 2011-08-18 | — | — | WO | disclosed |