Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.70 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.70 |
| ▸ | SHBG | P04278 | 5/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.70 |
| ▸ | STS | P08842 | 4/20 | 0.70 |
| ▸ | LMNA | P02545 | 4/20 | 0.70 |
| ▸ | PGR | P06401 | 4/20 | 0.70 |
| ▸ | AR | P10275 | 4/20 | 0.70 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.70 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.70 |
| ▸ | SERPINA6 | P08185 | 3/20 | 0.70 |
| ▸ | SNCA | P37840 | 3/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.70 |
| ▸ | HTR2B | P41595 | 3/20 | 0.70 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.70 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.70 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL7820061 | 1.00 | ESR1 (0.70) | ESR1ESR2SHBGHSD17B10STS | |
| SCHEMBL11786700 | 0.90 | ESR1 (0.73) | ESR1ESR2SHBGHSD17B10STS | |
| SCHEMBL11785210 | 0.88 | ESR1 (0.67) | ESR1ESR2SHBGHSD17B10STS | |
| SCHEMBL11785215 | 0.88 | ESR1 (0.67) | ESR1ESR2SHBGHSD17B10STS | |
| SCHEMBL11783204 | 0.86 | ESR1 (0.65) | ESR1ESR2SHBGHSD17B10STS | |
| SCHEMBL11783201 | 0.86 | ESR1 (0.65) | ESR1ESR2SHBGHSD17B10STS | |
| SCHEMBL11783555 | 0.86 | ESR1 (0.67) | ESR1ESR2SHBGHSD17B10STS | |
| SCHEMBL11783556 | 0.86 | ESR1 (0.67) | ESR1ESR2SHBGHSD17B10STS | |
| SCHEMBL7829772 | 0.85 | STS (0.59) | ESR1ESR2SHBGHSD17B10STS | |
| SCHEMBL5159050 | 0.85 | ESR1 (0.66) | ESR1ESR2SHBGHSD17B10STS |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0815120-B1 | 17-DIFLUOROMETHYLENE-OESTRATRIENES | SCHERING AG (DE) | 2001-02-14 | — | — | EP | claimed |
| EP-0815120-A1 | 17-DIFLUOROMETHYLENE-OESTRATRIENES | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-01-07 | — | — | EP | claimed |
| WO-1996028462-A1 | 17-DIFLUOROMETHYLENE-OESTRATRIENES | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-09-19 | — | — | WO | claimed |
| EP-0815120-B1 | 17-DIFLUOROMETHYLENE-OESTRATRIENES | SCHERING AG (DE) | 2001-02-14 | — | — | EP | disclosed |
| US-6136800-A | STEROIDS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-10-24 | — | — | US | disclosed |
| US-6018062-A | SUCH AS 17-DIFLUOROMETHYLENE-ESTRA-1,3,5(10)-TRIEN-3-OL; USE AS ANTIOXIDANTS AND VASCULOPROTECTIVE AGENTS AS THEY CAUSE VASODILATOR NITROGEN OXIDE RELEASE AND PREVENT OXIDATION OF LDL CHOLESTEROL | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-01-25 | — | — | US | disclosed |
| EP-0815120-A1 | 17-DIFLUOROMETHYLENE-OESTRATRIENES | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996028462-A1 | 17-DIFLUOROMETHYLENE-OESTRATRIENES | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-09-19 | — | — | WO | disclosed |