Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 9/20 | 0.45 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.42 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | BRAF | P15056 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24554415 | 0.90 | MAPK14 (0.53) | MAPK14CSNK1DCSNK1ESRCBRAF | |
| Hydrochloric Acid SCHEMBL26645368 | 0.89 | MAPK14 (0.52) | MAPK14CSNK1DCSNK1ESRCBRAF | |
| Trifluoroacetic Acid SCHEMBL26645121 | 0.88 | PDE10A (0.36) | MAPK14CSNK1DCSNK1EHTR3ASRC | |
| Hydrochloric Acid SCHEMBL26645137 | 0.82 | MAPK14 (0.45) | MAPK14HTR3ASRCBRAFKDR | |
| Hydrochloric Acid SCHEMBL26645132 | 0.82 | MAPK14 (0.45) | MAPK14SRCBRAFKDRMAPK11 | |
| SCHEMBL30623115 | 0.81 | CSNK1E (0.43) | MAPK14CSNK1DCSNK1EHTR3AMAPK11 | |
| Hydrochloric Acid SCHEMBL26645048 | 0.80 | MAPK14 (0.43) | MAPK14CSNK1DCSNK1ESRCBRAF | |
| SCHEMBL25273468 | 0.79 | GSK3B (0.45) | MAPK14CSNK1DCSNK1EGSK3B | |
| Hydrochloric Acid SCHEMBL26645169 | 0.79 | PTGS2 (0.39) | MAPK14HTR3ASRCBRAFKDR | |
| Hydrochloric Acid SCHEMBL26645181 | 0.79 | MAPK14 (0.37) | MAPK14CSNK1DSRCBRAFKDR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023213882-A1 | IRREVERSIBLE MUTEGFR INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-11-09 | — | — | WO | disclosed |