Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | IDH2 | P48735 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | IGF1R | P08069 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26548751 | 0.81 | MAPK14 (0.40) | CYP1A2MAPK14MAPK10HTR7HRH4 | |
| Hydrochloric Acid SCHEMBL27931970 | 0.81 | ALDH1A1 (0.43) | CYP2C9CYP2C19CYP17A1CYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28390156 | 0.81 | ALDH1A1 (0.43) | CYP2C9CYP2C19CYP17A1CYP1A2ALDH1A1 | |
| SCHEMBL26548744 | 0.81 | NOS1 (0.44) | CYP1A2MAPK14MAPK10HTR7MEN1 | |
| SCHEMBL26548519 | 0.77 | CCR1 (0.52) | MAPK14MAPK10HRH4KDR | |
| SCHEMBL26547349 | 0.77 | CACNA1I (0.44) | CYP2C9CYP2C19CYP17A1CYP1A2ALDH1A1 | |
| SCHEMBL26550285 | 0.77 | MAPK14 (0.41) | ALDH1A1MAPK14MAPK10HTR7HRH4 | |
| SCHEMBL26550286 | 0.76 | HTR7 (0.40) | ALDH1A1MAPK14MAPK10HTR7HRH4 | |
| SCHEMBL17131648 | 0.76 | IDH2 (0.55) | CYP1A2ALDH1A1MAPK14MAPK10IDH2 | |
| SCHEMBL26550280 | 0.76 | FDPS (0.48) | ALDH1A1MAPK14MAPK10HTR7HRH4 |
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 |