Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL20008349 | 0.83 | LDLR (0.32) | GRIN1GRIN2BTSHR | |
| SCHEMBL20008807 | 0.70 | LDLR (0.31) | GRIN1GRIN2B | |
| SCHEMBL25992719 | 0.65 | CASP1 (0.40) | TSHRCASP1ALDH1A1 | |
| SCHEMBL14964429 | 0.64 | ALDH1A1 (0.52) | TSHRCASP1ALDH1A1 | |
| SCHEMBL22562067 | 0.62 | CYP2D6 (0.40) | — | |
| SCHEMBL20076793 | 0.59 | ALDH1A1 (0.56) | TSHRCASP1ALDH1A1 | |
| SCHEMBL21020629 | 0.59 | ALDH1A1 (0.50) | TSHRCASP1ALDH1A1 | |
| SCHEMBL20008147 | 0.59 | CASP1 (0.35) | TSHRCASP1ALDH1A1 | |
| SCHEMBL26084626 | 0.58 | CASP1 (0.37) | TSHRCASP1ALDH1A1 | |
| SCHEMBL23525688 | 0.57 | CYP19A1 (0.44) | TSHRALDH1A1 |
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-3299367-A1 | BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS | Novartis AG (CH) | 2018-03-28 | — | — | EP | disclosed |