Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.44 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.44 |
| ▸ | GCK | P35557 | 3/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21632912 | 1.00 | CHEK2 (0.53) | CHEK2NPC1ALDH1A1LMNAGAA | |
| SCHEMBL31230056 | 1.00 | CHEK2 (0.53) | CHEK2NPC1ALDH1A1LMNAGAA | |
| SCHEMBL21632880 | 0.89 | CHEK2 (0.49) | CHEK2NPC1ALDH1A1LMNAGAA | |
| SCHEMBL31230088 | 0.89 | CHEK2 (0.49) | CHEK2NPC1ALDH1A1LMNAGAA | |
| SCHEMBL21666166 | 0.85 | NPC1 (0.52) | CHEK2NPC1ALDH1A1LMNAGAA | |
| SCHEMBL21666165 | 0.80 | NPC1 (0.55) | CHEK2NPC1ALDH1A1LMNAGAA | |
| SCHEMBL31230430 | 0.80 | NPC1 (0.55) | CHEK2NPC1ALDH1A1LMNAGAA | |
| Hydrochloric Acid SCHEMBL21633122 | 0.79 | NPC1 (0.54) | CHEK2NPC1ALDH1A1LMNAGAA | |
| Hydrochloric Acid SCHEMBL31230423 | 0.79 | NPC1 (0.54) | CHEK2NPC1ALDH1A1LMNAGAA | |
| SCHEMBL2367023 | 0.79 | GPR119 (0.49) | CHEK2GPR119PDE10AALK |
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-112566906-B | Substituted quinazolinone derivatives and their use as positive allosteric modulators of MGLUR4 | 多曼治疗学公司 | 2024-11-12 | — | — | CN | disclosed |