Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 10/20 | 0.38 |
| ▸ | JAK1 | P23458 | 3/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | TYK2 | P29597 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29343959 | 1.00 | KRAS (0.38) | KRASJAK1JAK2TYK2JAK3 | |
| SCHEMBL29343969 | 0.90 | KRAS (0.42) | KRASJAK1JAK2TYK2JAK3 | |
| SCHEMBL29343985 | 0.87 | KRAS (0.38) | KRASJAK1JAK2TYK2JAK3 | |
| SCHEMBL30699579 | 0.87 | KRAS (0.38) | KRASJAK1JAK2TYK2JAK3 | |
| SCHEMBL25304167 | 0.87 | KRAS (0.39) | KRASJAK1JAK2TYK2JAK3 | |
| SCHEMBL30589756 | 0.87 | KRAS (0.39) | KRASJAK1JAK2TYK2JAK3 | |
| SCHEMBL30589821 | 0.87 | KRAS (0.39) | KRASJAK1JAK2TYK2JAK3 | |
| SCHEMBL29810943 | 0.87 | KRAS (0.37) | KRASJAK1JAK2TYK2JAK3 | |
| SCHEMBL29343965 | 0.86 | KRAS (0.47) | KRASJAK1JAK2TYK2JAK3 | |
| SCHEMBL29344405 | 0.83 | KRAS (0.40) | KRAS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4322954-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | Merck Sharp & Dohme LLC (US) | 2024-02-21 | — | — | EP | disclosed |
| WO-2022221739-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-10-20 | — | — | WO | disclosed |