Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | PGR | P06401 | 7/20 | 0.45 |
| ▸ | AR | P10275 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | STS | P08842 | 6/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10955197 | 0.81 | AR (0.42) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL9471621 | 0.79 | CYP2C19 (0.58) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| Ethylestrenol SCHEMBL147908 | 0.74 | SLC6A4 (1.00) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| Ethylestrenol SCHEMBL11217999 | 0.74 | SLC6A4 (1.00) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL10627486 | 0.74 | AR (0.35) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL11517786 | 0.74 | ESR1 (0.55) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| Ethylestrenol SCHEMBL28817294 | 0.70 | SLC6A4 (0.89) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL11675295 | 0.70 | AR (0.33) | PGRARNR3C2 | |
| Ethylestrenol SCHEMBL5491436 | 0.70 | SLC6A4 (0.88) | ESR1CHRM2SLC6A2SLC6A4CYP2C19 | |
| SCHEMBL11644759 | 0.68 | PGR (0.58) | ESR1SLC6A4CYP2C19PGRAR |
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 |
|---|---|---|---|---|---|---|---|
| US-4544555-A | LUTEAL DEFICIENCY HYPERESTROGNIA, HYPERANDROGENIA, SEBORRHEA AND/O | GASTAUD JEAN M | 1985-10-01 | — | — | US | disclosed |
| US-4544555-A | LUTEAL DEFICIENCY HYPERESTROGNIA, HYPERANDROGENIA, SEBORRHEA AND/O | GASTAUD JEAN M | 1985-10-01 | — | — | US | disclosed |