Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 16/20 | 0.63 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.46 |
| ▸ | PGR | P06401 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ESRRA | P11474 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.46 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.46 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | ESRRB | O95718 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5169258 | 1.00 | ESR1 (0.63) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL5167865 | 0.98 | ESR1 (0.63) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL5166635 | 0.98 | ESR1 (0.63) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL5166437 | 0.98 | ESR1 (0.64) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL5166557 | 0.96 | ESR1 (0.64) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL5169580 | 0.94 | ESR1 (0.67) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL5166406 | 0.92 | ESR1 (0.67) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL5165490 | 0.92 | ESR1 (0.67) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL5167748 | 0.92 | ESR1 (0.67) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL5165547 | 0.92 | ESR1 (0.67) | 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-1187846-B1 | 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS | BAYER SCHERING PHARMA AG (DE) | 2007-04-18 | — | — | EP | claimed |
| US-6790842-B1 | 11β LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β LONG-CHAIN SUBSTITUTED ESTATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-09-14 | — | — | US | claimed |
| US-6790842-B1 | 11β LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β LONG-CHAIN SUBSTITUTED ESTATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-09-14 | — | — | US | disclosed |