Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | STS | P08842 | 2/20 | 0.54 |
| ▸ | RECQL | P46063 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.54 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.54 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | ESRRB | O95718 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6540806 | 0.83 | ESR1 (0.39) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL6257173 | 0.83 | ESR1 (0.40) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL6257864 | 0.83 | ESR1 (0.40) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL3424817 | 0.82 | STS (0.48) | ESR1ESR2MEN1KMT2ACYP3A4 | |
| SCHEMBL25304277 | 0.80 | ESR1 (0.67) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL8775817 | 0.76 | ESR1 (0.58) | ESR1ESR2HSD17B10LMNATSHR | |
| Estradiol SCHEMBL2970973 | 0.76 | HSD17B10 (0.85) | ESR1ESR2HSD17B10LMNATSHR | |
| Estradiol SCHEMBL19548243 | 0.76 | HSD17B10 (0.85) | ESR1ESR2HSD17B10LMNATSHR | |
| Alfatradiol SCHEMBL2970968 | 0.76 | HSD17B10 (0.85) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL20015950 | 0.75 | ESR1 (0.57) | ESR1ESR2HSD17B10LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0719276-B1 | ORALLY ACTIVE DERIVATIVES OF 1,3,5(10)-ESTRATRIENE | US HEALTH (US) | 1997-11-26 | — | — | EP | disclosed |
| US-5554603-A | 11,17-DINITRATES; USE TO ACHIEVE ESTROGENIC EFFECT IN FEMALE MAMMALS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-09-10 | — | — | US | disclosed |
| WO-1995007925-A1 | ORALLY ACTIVE DERIVATIVES OF 1,3,5(10)-ESTRATRIENE | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-03-23 | — | — | WO | disclosed |