Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL5153411 | 1.00 | ESR1 (0.43) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5153401 | 1.00 | ESR1 (0.43) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5150540 | 0.90 | ESR1 (0.42) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5150548 | 0.90 | ESR1 (0.42) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5154341 | 0.90 | ESR1 (0.42) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5150668 | 0.83 | ALDH5A1 (0.37) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5150626 | 0.78 | ESR2 (0.47) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5150620 | 0.78 | ESR2 (0.47) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5154238 | 0.74 | CYP2A6 (0.40) | ESR1ESR2PTGS2PELI1HSD17B10 | |
| SCHEMBL5150226 | 0.72 | ESR1 (0.42) | ESR1ESR2CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1633699-B1 | ARYL-CARBALDEHYDE OXIME DERIVATIVES AND THEIR USE AS ESTROGENIC AGENTS | WYETH CORP (US) | 2007-01-03 | — | — | EP | claimed |