Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 7/20 | 0.34 |
| ▸ | ESR1 | P03372 | 7/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.32 |
| ▸ | SHBG | P04278 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 2/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8775974 | 0.85 | STS (0.43) | STSESR1ESR2CYP3A4ABCB11 | |
| SCHEMBL3424817 | 0.83 | STS (0.48) | STSESR1ESR2CYP3A4ABCB11 | |
| SCHEMBL6540806 | 0.83 | ESR1 (0.39) | STSESR1ESR2CYP3A4ABCB11 | |
| SCHEMBL8776086 | 0.67 | ESR1 (0.54) | STSESR1ESR2CYP3A4ABCB11 | |
| SCHEMBL6257173 | 0.66 | ESR1 (0.40) | STSESR1ESR2CYP3A4ABCB11 | |
| SCHEMBL6257864 | 0.66 | ESR1 (0.40) | STSESR1ESR2CYP3A4ABCB11 | |
| SCHEMBL2066330 | 0.64 | ESR1 (0.66) | STSESR1ESR2CYP3A4ABCB11 | |
| SCHEMBL1657388 | 0.64 | STS (0.47) | STSESR1ESR2CYP3A4ABCB11 | |
| SCHEMBL2066331 | 0.64 | ESR1 (0.66) | STSESR1ESR2CYP3A4ABCB11 | |
| SCHEMBL5713538 | 0.64 | ESR1 (0.66) | STSESR1ESR2CYP3A4ABCB11 |
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 6 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 |