Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Estrone. 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 | 2/20 | 0.97 |
| ▸ | HSD17B1 | P14061 | 9/20 | 0.97 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.97 |
| ▸ | STS | P08842 | 6/20 | 0.97 |
| ▸ | LMNA | P02545 | 2/20 | 0.97 |
| ▸ | MAPT | P10636 | 2/20 | 0.97 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.97 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.97 |
| ▸ | SHBG | P04278 | 1/20 | 0.97 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.97 |
| ▸ | PGR | P06401 | 1/20 | 0.97 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.97 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.97 |
| ▸ | AR | P10275 | 1/20 | 0.97 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.97 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.97 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.97 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.97 |
| ▸ | SNCA | P37840 | 1/20 | 0.97 |
| ▸ | HTR2B | P41595 | 1/20 | 0.97 |
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 | |
|---|---|---|---|---|
| Estrone SCHEMBL9765070 | 1.00 | HSD17B1 (0.97) | HSD17B1CYP19A1STSLMNAMAPT | |
| Estrone SCHEMBL7831317 | 0.99 | CYP19A1 (1.00) | HSD17B1CYP19A1STSLMNAMAPT | |
| Estrone SCHEMBL12822081 | 0.99 | CYP19A1 (1.00) | HSD17B1CYP19A1STSLMNAMAPT | |
| Estrone SCHEMBL31398229 | 0.99 | CYP19A1 (1.00) | HSD17B1CYP19A1STSLMNAMAPT | |
| Estrone SCHEMBL5028951 | 0.99 | CYP19A1 (1.00) | HSD17B1CYP19A1STSLMNAMAPT | |
| Estrone SCHEMBL157262 | 0.99 | CYP19A1 (1.00) | HSD17B1CYP19A1STSLMNAMAPT | |
| Estrone SCHEMBL15079288 | 0.99 | CYP19A1 (1.00) | HSD17B1CYP19A1STSLMNAMAPT | |
| Estrone SCHEMBL12054811 | 0.99 | CYP19A1 (1.00) | HSD17B1CYP19A1STSLMNAMAPT | |
| Estrone SCHEMBL13153301 | 0.99 | CYP19A1 (1.00) | HSD17B1CYP19A1STSLMNAMAPT | |
| Estrone SCHEMBL29621709 | 0.99 | CYP19A1 (1.00) | HSD17B1CYP19A1STSLMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| JP-3215745-A | — | — | None | — | — | JP | disclosed |
| JP-H03215745-A | PATHOLOGICAL STATE DETECTING METHOD BY ESTROGEN METABOLISM CHANGE, AND TEST KIT FOR DETECTION | UNIV ROCKEFELLER | 1991-09-20 | — | — | JP | disclosed |