Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 5/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.31 |
| ▸ | HTR1A | P08908 | 4/20 | 0.31 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.31 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL30241889 | 1.00 | NISCH (0.35) | NISCHNOTUMADRA2AADRA2BADRA2C | |
| Toluene SCHEMBL29216294 | 0.92 | NISCH (0.33) | NISCHADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL30241883 | 0.88 | NISCH (0.33) | NISCH | |
| SCHEMBL28989149 | 0.88 | NISCH (0.33) | NISCH | |
| SCHEMBL28989143 | 0.88 | NISCH (0.33) | NISCH | |
| SCHEMBL28989140 | 0.86 | ADRA1A (0.38) | NISCHADRA2AADRA2BADRA2CLMNA | |
| SCHEMBL30203031 | 0.86 | ADRA1A (0.38) | NISCHADRA2AADRA2BADRA2CLMNA | |
| SCHEMBL30241880 | 0.84 | NISCH (0.38) | NISCHNOTUMADRA2AADRA2BADRA2C | |
| SCHEMBL28989532 | 0.84 | NISCH (0.38) | NISCHNOTUMADRA2AADRA2BADRA2C | |
| SCHEMBL30241878 | 0.82 | NISCH (0.49) | NISCHNOTUMLMNAPDCD1LG2CD274 |
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-118019742-A | Novel benzodiazepine derivatives as GABA Aγ1 PAM | 豪夫迈·罗氏有限公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-115667262-A | Benzodiazepine derivatives as GABAA γ 1PAM | 豪夫迈·罗氏有限公司 | 2023-01-31 | — | — | CN | disclosed |