Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL26548519 | 0.82 | CCR1 (0.52) | NOS1NOS2MAPK14MAPK10HRH4 | |
| SCHEMBL26550285 | 0.82 | MAPK14 (0.41) | MAPK14MAPK10HRH4FDPSHTR7 | |
| SCHEMBL26547682 | 0.81 | CYP2C9 (0.43) | MEN1KMT2ACYP1A2MAPK14MAPK10 | |
| SCHEMBL26550286 | 0.81 | HTR7 (0.40) | SMN1; SMN2MAPK14MAPK10HRH4FDPS | |
| SCHEMBL26550280 | 0.81 | FDPS (0.48) | MAPK14MAPK10HRH4FDPSHTR7 | |
| SCHEMBL23763303 | 0.80 | NOS1 (0.47) | NOS1NOS2NPC1PKMRAB9A | |
| SCHEMBL26550287 | 0.80 | CHRNB2 (0.44) | HTR7 | |
| SCHEMBL26548746 | 0.79 | FDPS (0.48) | MAPK14MAPK10HRH4FDPS | |
| SCHEMBL25229618 | 0.79 | NOS1 (0.46) | NOS1NOS2NPC1PKMRAB9A | |
| SCHEMBL26548755 | 0.79 | KDM4E (0.44) | SMN1; SMN2CYP1A2HTR7CYP3A4 |
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 |