Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20647304 | 1.00 | ESR1 (0.31) | ESR1ESR2GRM2 | |
| SCHEMBL20647416 | 0.87 | APP (0.33) | — | |
| SCHEMBL22241066 | 0.87 | APP (0.33) | — | |
| SCHEMBL18464125 | 0.86 | GRM2 (0.31) | GRM2 | |
| SCHEMBL17694320 | 0.85 | — | — | |
| SCHEMBL21134113 | 0.83 | APP (0.30) | — | |
| SCHEMBL21846598 | 0.81 | MMP13 (0.30) | — | |
| SCHEMBL20806198 | 0.81 | ESR1 (0.37) | ESR1ESR2 | |
| SCHEMBL18464128 | 0.76 | GABBR2 (0.30) | — | |
| SCHEMBL18464127 | 0.76 | GABBR2 (0.34) | — |
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-3458549-B1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |