Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.32 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5150226 | 1.00 | ESR1 (0.42) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5150221 | 1.00 | ESR1 (0.42) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5150266 | 0.88 | ESR1 (0.46) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5150255 | 0.88 | ESR1 (0.46) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5155695 | 0.88 | ESR1 (0.46) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5153997 | 0.82 | ESR1 (0.40) | ESR1ESR2CA12ALDH1A1MAPT | |
| SCHEMBL5150626 | 0.76 | ESR2 (0.47) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5150620 | 0.76 | ESR2 (0.47) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5153707 | 0.73 | ESR1 (0.40) | ESR1ESR2CA12CA1CA2 | |
| SCHEMBL5153855 | 0.72 | ESR1 (0.43) | 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 |