Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Allylestrenol. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 5/20 | 1.00 |
| ▸ | PGR known ✓ | P06401 | 5/20 | 1.00 |
| ▸ | SLC6A4 | P31645 | 4/20 | 1.00 |
| ▸ | LMNA | P02545 | 4/20 | 1.00 |
| ▸ | CHRM2 | P08172 | 3/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 3/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 1.00 |
| ▸ | AR | P10275 | 3/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 2/20 | 1.00 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 1.00 |
| ▸ | CHRM1 | P11229 | 1/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.76 |
| ▸ | ACHE | P22303 | 1/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.65 |
| ▸ | MAOA | P21397 | 1/20 | 0.65 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| Allylestrenol SCHEMBL329623 | 1.00 | ESR1 (1.00) | ESR1PGRSLC6A4LMNACHRM2 | |
| Allylestrenol SCHEMBL29648200 | 1.00 | ESR1 (1.00) | ESR1PGRSLC6A4LMNACHRM2 | |
| Allylestrenol SCHEMBL19645390 | 1.00 | ESR1 (1.00) | ESR1PGRSLC6A4LMNACHRM2 | |
| Ethylestrenol SCHEMBL147908 | 0.86 | SLC6A4 (1.00) | ESR1PGRSLC6A4LMNACHRM2 | |
| Ethylestrenol SCHEMBL11217999 | 0.86 | SLC6A4 (1.00) | ESR1PGRSLC6A4LMNACHRM2 | |
| SCHEMBL11857916 | 0.85 | PGR (0.74) | ESR1PGRSLC6A4LMNACHRM2 | |
| SCHEMBL17891654 | 0.85 | PGR (0.74) | ESR1PGRSLC6A4LMNACHRM2 | |
| SCHEMBL11856880 | 0.83 | PGR (0.71) | ESR1PGRSLC6A4LMNACHRM2 | |
| Ethylestrenol SCHEMBL5491436 | 0.83 | SLC6A4 (0.88) | ESR1PGRSLC6A4LMNACHRM2 | |
| Ethylestrenol SCHEMBL28817294 | 0.82 | SLC6A4 (0.89) | ESR1PGRSLC6A4LMNACHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118680938-A | Allyl estrol pharmaceutical composition and preparation method thereof | 常州市第四制药厂有限公司 | 2024-09-24 | — | — | CN | disclosed |
| US-4961931-A | Method for the management of hyperplasia | ALZA CORPORATION (US) | 1990-10-09 | — | — | US | disclosed |