Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.52 |
| ▸ | CCR5 | P51681 | 1/20 | 0.52 |
| ▸ | CCR8 | P51685 | 1/20 | 0.52 |
| ▸ | RIOK2 | Q9BVS4 | 7/20 | 0.49 |
| ▸ | NOS3 | P29474 | 2/20 | 0.48 |
| ▸ | NOS1 | P29475 | 2/20 | 0.48 |
| ▸ | NOS2 | P35228 | 2/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | FDPS | P14324 | 2/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 4/20 | 0.42 |
| ▸ | GSK3A | P49840 | 3/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL26550280 | 0.84 | FDPS (0.48) | RIOK2KDRFDPSMAPK10MAPK14 | |
| SCHEMBL26548744 | 0.82 | NOS1 (0.44) | NOS1NOS2FDPSMAPK10MAPK14 | |
| SCHEMBL26548751 | 0.80 | MAPK14 (0.40) | KDRFDPSMAPK10MAPK14HRH4 | |
| Hydrochloric Acid SCHEMBL10980610 | 0.79 | RIOK2 (0.51) | CCR1CCR5CCR8RIOK2NOS3 | |
| Hydrochloric Acid SCHEMBL10980614 | 0.79 | RIOK2 (0.51) | CCR1CCR5CCR8RIOK2NOS3 | |
| SCHEMBL3927522 | 0.79 | CCR1 (0.57) | CCR1CCR5CCR8RIOK2NOS3 | |
| SCHEMBL30496425 | 0.79 | CCR1 (0.57) | CCR1CCR5CCR8RIOK2NOS3 | |
| SCHEMBL26550285 | 0.78 | MAPK14 (0.41) | KDRFDPSMAPK10MAPK14HRH4 | |
| SCHEMBL26548746 | 0.78 | FDPS (0.48) | FDPSMAPK10MAPK14HRH4 | |
| SCHEMBL17700550 | 0.77 | HRH4 (0.50) | CCR1CCR5CCR8RIOK2NOS3 |
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 |