Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Estrone Sulfuric Acid. 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 | 0.79 |
| ▸ | STS | P08842 | 9/20 | 0.98 |
| ▸ | ABCC4 | O15439 | 3/20 | 0.98 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.98 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.98 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.89 |
| ▸ | CA1 | P00915 | 3/20 | 0.79 |
| ▸ | CA2 | P00918 | 3/20 | 0.79 |
| ▸ | CA9 | Q16790 | 3/20 | 0.79 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.79 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.79 |
| ▸ | CA4 | P22748 | 1/20 | 0.79 |
| ▸ | CA6 | P23280 | 1/20 | 0.79 |
| ▸ | LMNA | P02545 | 2/20 | 0.74 |
| ▸ | MAPT | P10636 | 2/20 | 0.74 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.74 |
| ▸ | RECQL | P46063 | 1/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.74 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.69 |
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 Sulfuric Acid SCHEMBL22846 | 0.99 | STS (1.00) | STSABCC4ABCC1CYP2C9SLCO1B1 | |
| Estrone Sulfuric Acid SCHEMBL14375453 | 0.99 | STS (1.00) | STSABCC4ABCC1CYP2C9SLCO1B1 | |
| Estrone Sulfuric Acid SCHEMBL6530673 | 0.99 | STS (1.00) | STSABCC4ABCC1CYP2C9SLCO1B1 | |
| Estrone Sulfuric Acid SCHEMBL12920398 | 0.99 | STS (1.00) | STSABCC4ABCC1CYP2C9SLCO1B1 | |
| Estrone Sulfuric Acid SCHEMBL29369653 | 0.99 | STS (1.00) | STSABCC4ABCC1CYP2C9SLCO1B1 | |
| Estrone Sulfuric Acid SCHEMBL29379988 | 0.98 | STS (0.98) | STSABCC4ABCC1CYP2C9SLCO1B1 | |
| Estrone Sulfuric Acid SCHEMBL29769589 | 0.98 | STS (0.98) | STSABCC4ABCC1CYP2C9SLCO1B1 | |
| Estrone Sulfuric Acid SCHEMBL21577 | 0.94 | CYP3A4 (1.00) | STSABCC4ABCC1CYP2C9SLCO1B1 | |
| Estrone Sulfuric Acid SCHEMBL4443808 | 0.94 | CYP3A4 (1.00) | STSABCC4ABCC1CYP2C9SLCO1B1 | |
| Estrone Sulfuric Acid SCHEMBL6556684 | 0.94 | CYP3A4 (1.00) | STSABCC4ABCC1CYP2C9SLCO1B1 |
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 3 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 |
| 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 |
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 1084/4885ABCC4 1404/4885 |
| 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 1084/4885ABCC4 1404/4885 |
“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.