Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | DDAH1 | O94760 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4755747 | 1.00 | HCAR2 (0.37) | HCAR2KEAP1NFE2L2DDAH1TSHR | |
| SCHEMBL9454862 | 0.88 | TSHR (0.40) | HCAR2KEAP1NFE2L2DDAH1TSHR | |
| SCHEMBL9454865 | 0.88 | TSHR (0.40) | HCAR2KEAP1NFE2L2DDAH1TSHR | |
| SCHEMBL5452973 | 0.81 | HCAR2 (0.39) | HCAR2KEAP1NFE2L2TSHRALDH1A1 | |
| SCHEMBL20954523 | 0.81 | ALDH1A1 (0.39) | DDAH1TSHRALDH1A1 | |
| SCHEMBL5452972 | 0.81 | HCAR2 (0.39) | HCAR2KEAP1NFE2L2TSHRALDH1A1 | |
| SCHEMBL4910662 | 0.78 | HCAR2 (0.40) | HCAR2KEAP1NFE2L2DDAH1TSHR | |
| SCHEMBL7916712 | 0.78 | HCAR2 (0.40) | HCAR2KEAP1NFE2L2DDAH1TSHR | |
| SCHEMBL4910657 | 0.78 | HCAR2 (0.40) | HCAR2KEAP1NFE2L2DDAH1TSHR | |
| SCHEMBL10686341 | 0.78 | CES1 (0.39) | HCAR2KEAP1NFE2L2TSHRALDH1A1 |
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-2008156607-A1 | SUBSTITUTED PYRIMIDINONES | NEUROGEN CORPORATION (US) | 2008-12-24 | — | — | WO | disclosed |