Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.63 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4030941 | 0.81 | ESR1 (0.61) | ESR1ESR2HSD17B10 | |
| SCHEMBL4034568 | 0.80 | ESR1 (0.74) | ESR1ESR2 | |
| SCHEMBL4035587 | 0.80 | ESR1 (0.71) | ESR1ESR2 | |
| SCHEMBL4029275 | 0.80 | ESR1 (0.56) | ESR1ESR2HSD17B10 | |
| SCHEMBL5903433 | 0.80 | ESR1 (0.43) | ESR1ESR2HSD17B10 | |
| SCHEMBL3890967 | 0.77 | ESR1 (1.00) | ESR1ESR2 | |
| SCHEMBL3622654 | 0.72 | MAPK1 (0.46) | ESR1ESR2 | |
| SCHEMBL4029316 | 0.72 | ESR1 (0.67) | ESR1ESR2HSD17B10 | |
| SCHEMBL4034586 | 0.71 | ESR1 (1.00) | ESR1ESR2 | |
| SCHEMBL4031608 | 0.70 | ESR1 (0.72) | ESR1ESR2 |
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-7601847-B2 | Via lithium bis(trimethylsilyl)amide, lithium dicyclohexylamide, or potassium bis(trimethylsilyl)amide base and alkylating agent; atherosclerosis, myocardial infarction, congestive heart failure, inflammatory bowel disease, arthritis, type II diabetes, multiple sclerosis and rheumatoid arthritis | WYETH (US) | 2009-10-13 | — | — | US | disclosed |