Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3775778 | 0.81 | ESR1 (0.55) | SHBGESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL9447845 | 0.80 | CYP19A1 (0.33) | SHBGESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL2507306 | 0.78 | CYP19A1 (0.40) | SHBGESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL9447841 | 0.78 | ALDH1A1 (0.36) | SHBGESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL4944917 | 0.77 | SHBG (0.36) | SHBGESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL30697545 | 0.75 | SHBG (0.34) | SHBGESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL30697542 | 0.73 | NR1I2 (0.36) | SHBGESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL30697546 | 0.73 | NR1I2 (0.36) | SHBGESR1CHRM2SLC6A2SLC6A4 | |
| SCHEMBL4013306 | 0.71 | CYP19A1 (0.56) | SHBGESR1SLC6A4CYP2C19CYP19A1 | |
| Bolenol SCHEMBL636531 | 0.71 | ESR1 (0.71) | SHBGESR1CHRM2SLC6A2SLC6A4 |
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 |