Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30697542 | 1.00 | NR1I2 (0.36) | NR1I2ESR1NR3C1SHBGPGR | |
| SCHEMBL3193482 | 0.73 | ESR1 (0.60) | NR1I2ESR1NR3C1SHBGPGR | |
| SCHEMBL9447845 | 0.67 | CYP19A1 (0.33) | ESR1SHBGPGRCHRM2ADORA3 | |
| SCHEMBL9447841 | 0.65 | ALDH1A1 (0.36) | ESR1SHBGCHRM2SLC6A2SLC6A4 | |
| SCHEMBL2507306 | 0.64 | CYP19A1 (0.40) | ESR1SHBGPGRCHRM2ADORA3 | |
| SCHEMBL4944917 | 0.62 | SHBG (0.36) | ESR1SHBGPGRCHRM2ADORA3 | |
| SCHEMBL18603997 | 0.59 | CYP19A1 (0.40) | ESR1SHBGPGRCHRM2ADORA3 | |
| Bolenol SCHEMBL636530 | 0.56 | ESR1 (0.71) | ESR1NR3C1SHBGPGRCHRM2 | |
| Bolenol SCHEMBL636531 | 0.56 | ESR1 (0.71) | ESR1NR3C1SHBGPGRCHRM2 | |
| SCHEMBL9346634 | 0.56 | STS (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117402201-A | Preparation methods of desogestrel, etogestrel and intermediates thereof, and intermediates | 扬州奥锐特药业有限公司 | 2024-01-16 | — | — | CN | disclosed |