Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | LYN | P07948 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | CCR4 | P51679 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26573670 | 0.86 | FLT3 (0.39) | MAP4K1ROCK1ALDH1A1MEN1NPC1 | |
| SCHEMBL16244502 | 0.78 | ROCK1 (0.40) | MAP4K1ROCK1NOS3NOS1NOS2 | |
| SCHEMBL26536562 | 0.76 | MAP4K1 (0.32) | MAP4K1ROCK1ALDH1A1MEN1NPC1 | |
| SCHEMBL1154553 | 0.76 | CYP1A2 (0.51) | ROCK1NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL21017395 | 0.73 | ALDH1A1 (0.37) | MAP4K1ROCK1NOS3NOS1NOS2 | |
| SCHEMBL26551523 | 0.71 | TLR8 (0.44) | ALDH1A1MEN1LMNAMAPK1KMT2A | |
| SCHEMBL29416507 | 0.71 | PTGDR (0.44) | ALDH1A1LYNSRCBTKMAPK8 | |
| SCHEMBL30353144 | 0.70 | LYN (0.39) | MAP4K1ROCK1ALDH1A1MEN1NPC1 | |
| SCHEMBL19116538 | 0.69 | SMN1; SMN2 (0.59) | ALDH1A1MEN1NPC1LMNAMAPT | |
| SCHEMBL13950483 | 0.69 | RAB9A (0.59) | ROCK1ALDH1A1MEN1NPC1LMNA |
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 |