Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 10/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.33 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 0.32 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30602455 | 1.00 | ATR (0.39) | ATRHTR6HTR2AHTR2CHTR2B | |
| SCHEMBL1507178 | 0.84 | GRM5 (0.38) | HTR2AHTR2CHTR2BCHRNB2CHRNA4 | |
| SCHEMBL15492555 | 0.82 | PDE10A (0.41) | ATRGRM5CD274CYP3A4MTOR | |
| SCHEMBL28106897 | 0.80 | KDR (0.42) | HTR2AHTR2CHTR2BCHRNB2CHRNA4 | |
| SCHEMBL23554566 | 0.79 | ATR (0.38) | ATRHTR2AHTR2CHTR2BGRM5 | |
| SCHEMBL10255143 | 0.79 | ATR (0.38) | ATRGRM5CYP3A4MTOR | |
| SCHEMBL23733445 | 0.79 | ATR (0.38) | ATRHTR6KCNH2CYP3A4MTOR | |
| SCHEMBL31278237 | 0.77 | ATR (0.37) | ATRGRM5CYP3A4MTOR | |
| SCHEMBL28835263 | 0.76 | ABHD6 (0.39) | ABHD6GRM5KCNH2 | |
| SCHEMBL31226154 | 0.75 | PDE10A (0.39) | ATRHTR2AHTR2CHTR2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024245156-A1 | HETEROCYCLIC COMPOUND ACTING AS α5-GABAA RECEPTOR REGULATOR | 武汉人福创新药物研发中心有限公司 | 2024-12-05 | — | — | WO | disclosed |
| CN-119019425-A | Alpha 5-GABAAHeterocyclic compounds as receptor modulators | 武汉人福创新药物研发中心有限公司 | 2024-11-26 | — | — | CN | disclosed |
| CN-117069724-A | Fused ring compounds, pharmaceutical compositions and uses | 上海赛默罗德生物科技有限公司 | 2023-11-17 | — | — | CN | disclosed |