Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.80 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.80 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.59 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.59 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | ESRRB | O95718 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.59 |
| ▸ | SHBG | P04278 | 1/20 | 0.59 |
| ▸ | PGR | P06401 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL13863733 | 1.00 | ESR1 (0.80) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL13863734 | 0.95 | ESR1 (0.81) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL13865446 | 0.95 | ESR1 (0.81) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL13863735 | 0.94 | ESR1 (0.83) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL5830011 | 0.92 | ESR1 (0.80) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL17525985 | 0.91 | ESR1 (0.76) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL11094746 | 0.91 | ESR1 (0.76) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL17689659 | 0.90 | ESR1 (0.74) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL9329714 | 0.89 | ESR1 (0.76) | ESR1ESR2HSD17B10LMNATSHR | |
| SCHEMBL6712217 | 0.89 | ESR1 (0.76) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7528123-B1 | Estrogenic estra-1,3,5(10)-trienes with differential effects on the alpha and beta estrogen receptors, having a linear hydrocarbon chain of from 5-9 carbon atoms in position 11 | N.V. ORGANON (NL) | 2009-05-05 | — | — | US | disclosed |