Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | PIM1 | P11309 | 4/20 | 0.46 |
| ▸ | CSNK2A2 | P19784 | 4/20 | 0.46 |
| ▸ | CSNK2B | P67870 | 4/20 | 0.46 |
| ▸ | PIM3 | Q86V86 | 4/20 | 0.46 |
| ▸ | PIM2 | Q9P1W9 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29111354 | 0.86 | GAA (0.66) | LMNAGAAL3MBTL1ALDH1A1POLB | |
| SCHEMBL31569732 | 0.85 | TBK1 (0.44) | MAPTLMNADRD4 | |
| SCHEMBL30669819 | 0.84 | GAA (0.55) | MAPTLMNAGAAL3MBTL1ALDH1A1 | |
| SCHEMBL28627494 | 0.84 | GAA (0.55) | MAPTLMNAGAAL3MBTL1ALDH1A1 | |
| SCHEMBL26170030 | 0.83 | NAMPT (0.51) | — | |
| SCHEMBL23293923 | 0.79 | KDM4E (0.47) | MAPTALDH1A1HPGDNPSR1 | |
| SCHEMBL30947729 | 0.79 | KDM4E (0.47) | MAPTALDH1A1HPGDNPSR1 | |
| SCHEMBL30186938 | 0.79 | NSD2 (0.47) | MAPTL3MBTL1ALDH1A1PIM1PIM2 | |
| SCHEMBL26170074 | 0.79 | NSD2 (0.47) | MAPTL3MBTL1ALDH1A1PIM1PIM2 | |
| SCHEMBL30947756 | 0.78 | JAK2 (0.40) | MAPTGAAIDO1NPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113461661-B | 6- (pyridin-3-yl) quinazoline-4 (3H) -ketone derivative and preparation and application thereof | 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) | 2023-11-28 | — | — | CN | disclosed |
| CN-113461661-A | 6- (pyridine-3-yl) quinazoline-4 (3H) -ketone derivative and preparation and application thereof | 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) | 2021-10-01 | — | — | CN | disclosed |