Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 3/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | SGK1 | O00141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25547735 | 0.80 | DRD1 (0.33) | — | |
| SCHEMBL26290807 | 0.72 | EPHX2 (0.32) | LRRK2EPHX2 | |
| SCHEMBL29937063 | 0.72 | NTRK1 (0.36) | LRRK2TRPA1SCN5ASCN9AAR | |
| SCHEMBL19115758 | 0.71 | MAP2K1 (0.38) | LRRK2EPHX2 | |
| SCHEMBL19104234 | 0.69 | ERBB2 (0.34) | LRRK2DHODHSGK1 | |
| SCHEMBL30201734 | 0.67 | MAPK1 (0.47) | LRRK2 | |
| SCHEMBL3673625 | 0.67 | MAPK1 (0.47) | LRRK2 | |
| SCHEMBL26096218 | 0.66 | MAP2K1 (0.36) | LRRK2 | |
| SCHEMBL29344157 | 0.66 | — | — | |
| SCHEMBL29937140 | 0.66 | — | — |
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-2023097227-A1 | SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS | MERCK SHARP & DOHME LLC (US) | 2023-06-01 | — | — | WO | disclosed |