Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.50 |
| ▸ | PRKACA | P17612 | 1/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.50 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.50 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.50 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL28825617 | 0.84 | GRIN2B (0.46) | ROCK2MAP4K4PRKACAROCK1DYRK1A | |
| SCHEMBL28825639 | 0.83 | GRIN2B (0.44) | ROCK2MAP4K4PRKACAROCK1DYRK1A | |
| SCHEMBL28825596 | 0.78 | ROCK2 (0.50) | ROCK2MAP4K4PRKACAROCK1DYRK1A | |
| SCHEMBL28825637 | 0.78 | NQO2 (0.53) | ROCK2MAP4K4PRKACAROCK1DYRK1A | |
| SCHEMBL7975159 | 0.74 | AHR (0.53) | ROCK2MAP4K4PRKACAROCK1DYRK1A | |
| SCHEMBL7974639 | 0.74 | CHRM5 (0.46) | ROCK2MAP4K4PRKACAROCK1DYRK1A | |
| SCHEMBL28696701 | 0.74 | ROCK2 (0.46) | ROCK2MAP4K4PRKACAROCK1DYRK1A | |
| SCHEMBL28825677 | 0.74 | GRIN1 (0.45) | ROCK2MAP4K4PRKACAROCK1DYRK1A | |
| SCHEMBL3298582 | 0.73 | ALDH1A1 (0.64) | CYP3A4ALDH1A1TP53MAPTAHR | |
| SCHEMBL28949613 | 0.73 | CYP11B2 (0.51) | ROCK2MAP4K4PRKACAROCK1DYRK1A |
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-114007610-A | Substituted heteroaromatic pyrazolopyridines and their use as modulators of the GLUN2B receptor | 詹森药业有限公司 | 2022-02-01 | — | — | CN | disclosed |