Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HTR1F | P30939 | 1/20 | 0.33 |
| ▸ | SCD | O00767 | 5/20 | 0.31 |
| ▸ | TOP2A | P11388 | 3/20 | 0.30 |
| ▸ | TOP2B | Q02880 | 3/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21624191 | 1.00 | GRM2 (0.36) | GRM2HTR1AHTR1DHTR1BHTR1F | |
| SCHEMBL16821909 | 0.75 | GLA (0.37) | HTR1AHTR1DHTR1BHTR1FSCD | |
| SCHEMBL23648384 | 0.74 | OPRM1 (0.36) | GRM2SCD | |
| SCHEMBL21636511 | 0.72 | HTR6 (0.40) | GRM2 | |
| SCHEMBL28839286 | 0.70 | HTR2A (0.48) | HTR1AHTR1DHTR1BHTR1FSCD | |
| SCHEMBL21624211 | 0.70 | LPL (0.33) | HTR1AHTR1DHTR1BHTR1FSCD | |
| SCHEMBL30005846 | 0.70 | LPL (0.33) | HTR1AHTR1DHTR1BHTR1FSCD | |
| SCHEMBL31437974 | 0.70 | HTR1A (0.35) | HTR1AHTR1DHTR1BHTR1FSCD | |
| SCHEMBL23883491 | 0.68 | KCNH2 (0.42) | — | |
| SCHEMBL30335333 | 0.68 | KCNH2 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4090660-A1 | QUINOXALINE DERIVATIVES | Grünenthal GmbH (DE) | 2022-11-23 | — | — | EP | disclosed |