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 | 0.89 |
| ▸ | STS | P08842 | 8/20 | 0.89 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.89 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.89 |
| ▸ | LMNA | P02545 | 2/20 | 0.89 |
| ▸ | MAPT | P10636 | 2/20 | 0.89 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.89 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.89 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.89 |
| ▸ | SHBG | P04278 | 1/20 | 0.89 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.89 |
| ▸ | PGR | P06401 | 1/20 | 0.89 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.89 |
| ▸ | AR | P10275 | 1/20 | 0.89 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.89 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.89 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.89 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.89 |
| ▸ | SNCA | P37840 | 1/20 | 0.89 |
| ▸ | HTR2B | P41595 | 1/20 | 0.89 |
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 SCHEMBL22847 | 0.99 | STS (0.91) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL6693553 | 0.99 | STS (0.91) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL669802 | 0.98 | STS (0.89) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL8901907 | 0.98 | STS (0.89) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL628643 | 0.94 | STS (0.87) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL157262 | 0.94 | CYP19A1 (1.00) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL12054811 | 0.94 | CYP19A1 (1.00) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL7831317 | 0.94 | CYP19A1 (1.00) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL15079288 | 0.94 | CYP19A1 (1.00) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL5028951 | 0.94 | CYP19A1 (1.00) | STSHSD17B1CYP19A1LMNAMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11352331-B2 | Crystal and salt of 4-(naphthalen-1-yl)-4H-1,2,4-triazole compound and preparation method therefor | MEDSHINE DISCOVERY (CN) | 2022-06-07 | — | — | US | disclosed |
| CN-111527073-B | Crystal forms and salt forms of 4- (naphthalene-1-yl) -4H-1,2, 4-triazole compounds and preparation methods thereof | 南京明德新药研发有限公司 | 2022-03-15 | — | — | CN | disclosed |
| US-20210078960-A1 | CRYSTAL AND SALT OF 4-(NAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOLE COMPOUND AND PREPARATION METHOD THEREFOR | JIANGSU KANION PHARMACEUTICAL CO.,LTD (CN) | 2021-03-18 | — | — | US | disclosed |
| EP-3725781-A1 | CRYSTAL AND SALT OF 4-(NAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOLE COMPOUND AND PREPARATION METHOD THEREFOR | Medshine Discovery Inc. (CN) | 2020-10-21 | — | — | EP | disclosed |
| CN-111527073-A | Crystal forms and salt forms of 4- (naphthalene-1-yl) -4H-1,2, 4-triazole compounds and preparation methods thereof | 南京明德新药研发有限公司 | 2020-08-11 | — | — | CN | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-11352331-B2 | Crystal and salt of 4-(naphthalen-1-yl)-4H-1,2,4-triazole compound and preparation method therefor | CYP27A1, GOT1, NOD1 | ESR1 4651/4885STS 1084/4885HSD17B1 278/4885 |
| US-20210078960-A1 | CRYSTAL AND SALT OF 4-(NAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOLE COMPOUND AND PREPARATION METHOD THEREFOR | CYP27A1, GOT1, NOD1 | ESR1 4651/4885STS 1084/4885HSD17B1 278/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.