Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | BCL2 | P10415 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 3/20 | 0.41 |
| ▸ | GSK3B | P49841 | 3/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15059736 | 0.88 | GRIN2B (0.53) | GRIN2BHDAC1BCL2NAMPTGSK3B | |
| SCHEMBL14652137 | 0.88 | GRIN2B (0.53) | GRIN2BHDAC1BCL2NAMPTGSK3B | |
| SCHEMBL30320778 | 0.86 | GSK3B (0.46) | HDAC1GSK3BDEGS1HCAR3EPHX2 | |
| SCHEMBL25702957 | 0.86 | GSK3B (0.46) | HDAC1GSK3BDEGS1HCAR3EPHX2 | |
| SCHEMBL13838587 | 0.85 | GRIN2B (0.52) | GRIN2BHDAC1BCL2NAMPTGSK3B | |
| SCHEMBL29651977 | 0.83 | HCAR3 (0.57) | GRIN2BHDAC1BCL2HCAR3 | |
| SCHEMBL2877186 | 0.83 | HCAR3 (0.57) | GRIN2BHDAC1BCL2HCAR3 | |
| SCHEMBL28658285 | 0.83 | GRIN2B (0.48) | GRIN2BHDAC1BCL2NAMPTGSK3B | |
| SCHEMBL31727242 | 0.83 | GRIN2B (0.48) | GRIN2BHDAC1BCL2NAMPTGSK3B | |
| SCHEMBL30552385 | 0.82 | HDAC1 (0.51) | GRIN2BHDAC1BCL2NAMPTGSK3B |
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 |
|---|---|---|---|---|---|---|---|
| CN-113527261-A | Pyridone or pyrimidone derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2021-10-22 | — | — | CN | disclosed |