Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | TRPV3 | Q8NET8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9162495 | 1.00 | ESR2 (0.33) | ESR2CSNK1A1CSNK1DRPS6KA3TRPV3 | |
| SCHEMBL9162511 | 1.00 | ESR2 (0.33) | ESR2CSNK1A1CSNK1DRPS6KA3TRPV3 | |
| SCHEMBL9162486 | 1.00 | ESR2 (0.33) | ESR2CSNK1A1CSNK1DRPS6KA3TRPV3 | |
| SCHEMBL9154336 | 0.83 | TRPV3 (0.34) | TRPV3 | |
| SCHEMBL9154329 | 0.83 | TRPV3 (0.34) | TRPV3 | |
| SCHEMBL9154322 | 0.83 | TRPV3 (0.34) | TRPV3 | |
| SCHEMBL9154346 | 0.83 | TRPV3 (0.34) | TRPV3 | |
| SCHEMBL8970344 | 0.80 | CYP2C9 (0.37) | — | |
| SCHEMBL8970360 | 0.80 | CYP2C9 (0.37) | — | |
| SCHEMBL8970356 | 0.80 | CYP2C9 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0445248-B1 | PYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-5205962-A | Stable liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-27 | — | — | US | disclosed |
| WO-1991004248-A1 | PYRIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-04-04 | — | — | WO | disclosed |