Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.50 |
| ▸ | CLK2 | P49760 | 3/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.50 |
| ▸ | STK17A | Q9UEE5 | 3/20 | 0.50 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.50 |
| ▸ | NEK4 | P51957 | 2/20 | 0.50 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 0.50 |
| ▸ | HIPK4 | Q8NE63 | 2/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.50 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.50 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.50 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.50 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.49 |
| ▸ | IDH2 | P48735 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | FBP1 | P09467 | 1/20 | 0.46 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16637563 | 0.82 | KDR (0.55) | KDRCLK2CLK4STK17AIRAK1 | |
| SCHEMBL29128624 | 0.82 | RIOK2 (0.52) | KDRCLK2CLK4STK17AIRAK1 | |
| SCHEMBL2635853 | 0.80 | ALDH1A1 (0.56) | KDRCLK2CLK4STK17AIRAK1 | |
| SCHEMBL31264157 | 0.80 | ALDH1A1 (0.56) | KDRCLK2CLK4STK17AIRAK1 | |
| SCHEMBL9628989 | 0.79 | GAA (0.48) | KDRCLK2CLK4STK17AIRAK1 | |
| SCHEMBL3192275 | 0.78 | L3MBTL1 (0.55) | KDRCLK2CLK4STK17AIRAK1 | |
| SCHEMBL30875900 | 0.78 | NR3C2 (0.67) | KDRCLK2CLK4STK17AIRAK1 | |
| SCHEMBL5029590 | 0.78 | NR3C2 (0.67) | KDRCLK2CLK4STK17AIRAK1 | |
| SCHEMBL29128637 | 0.78 | RAB9A (0.63) | GAARPS6KA3KMT2AEPAS1 | |
| SCHEMBL25406525 | 0.76 | KDR (0.71) | KDRCLK2CLK4STK17AIRAK1 |
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-117263873-A | 1, 4-benzodiazepine compounds and application thereof in preparation of antitumor drugs | 复旦大学 | 2023-12-22 | — | — | CN | disclosed |