Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 20/20 | 0.82 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.65 |
| ▸ | AR | P10275 | 2/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL15076947 | 0.89 | ESR1 (0.66) | ESR1ESR2AR | |
| SCHEMBL15076990 | 0.87 | ESR1 (0.67) | ESR1ESR2AR | |
| SCHEMBL15076902 | 0.84 | ESR1 (0.59) | ESR1ESR2AR | |
| SCHEMBL13221335 | 0.83 | ESR1 (0.58) | ESR1AR | |
| SCHEMBL18773664 | 0.83 | ESR1 (0.78) | ESR1ESR2 | |
| SCHEMBL30058620 | 0.80 | ESR1 (1.00) | ESR1ESR2AR | |
| SCHEMBL837374 | 0.80 | ESR1 (1.00) | ESR1ESR2AR | |
| SCHEMBL16184327 | 0.80 | ESR1 (0.61) | ESR1 | |
| SCHEMBL15076938 | 0.80 | ESR1 (0.61) | ESR1ESR2AR | |
| SCHEMBL15059230 | 0.80 | VDR (0.64) | ESR1ESR2AR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013091082-A1 | BIS-(ARYL/HETEROARYL)-METHYLENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND THEIR USE FOR TREATING CANCER | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2013-06-27 | — | — | WO | disclosed |