Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 5/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 6/20 | 0.38 |
| ▸ | KDR | P35968 | 5/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.36 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.36 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.36 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.36 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.36 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.36 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.36 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23763117 | 0.81 | RXRA (0.43) | BRAFKDRIGF1R | |
| SCHEMBL26547682 | 0.81 | CYP2C9 (0.43) | MAPK14MAPK10HRH4CYP1A2BRAF | |
| SCHEMBL26548519 | 0.80 | CCR1 (0.52) | MAPK14MAPK10HRH4KDRFDPS | |
| SCHEMBL25211019 | 0.78 | KDR (0.40) | HRH4CYP1A2BRAFKDRIGF1R | |
| SCHEMBL26550280 | 0.78 | FDPS (0.48) | MAPK14MAPK10HRH4KDRFDPS | |
| SCHEMBL26548744 | 0.77 | NOS1 (0.44) | MAPK14MAPK10HRH4CYP1A2FDPS | |
| SCHEMBL26547350 | 0.75 | HCAR3 (0.45) | CYP1A2ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL12356693 | 0.75 | HRH4 (0.41) | HRH4CYP1A2 | |
| SCHEMBL17131648 | 0.75 | IDH2 (0.55) | MAPK14MAPK10CYP1A2BRAFKDR | |
| SCHEMBL23213851 | 0.73 | KDR (0.49) | BRAFKDR |
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-2023196975-A1 | COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE | SHY THERAPEUTICS, LLC (US) | 2023-10-12 | — | — | WO | disclosed |