Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 8/20 | 0.45 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL29343991 | 0.91 | KRAS (0.46) | KRASCNR1CNR2 | |
| SCHEMBL29936989 | 0.86 | KRAS (0.51) | KRAS | |
| SCHEMBL29343992 | 0.81 | KRAS (0.36) | KRASCNR1CNR2 | |
| SCHEMBL30998397 | 0.79 | KRAS (0.59) | KRAS | |
| SCHEMBL29937260 | 0.77 | KRAS (0.51) | KRAS | |
| SCHEMBL26724874 | 0.75 | KRAS (0.60) | KRAS | |
| SCHEMBL29343990 | 0.74 | KRAS (0.54) | KRAS | |
| SCHEMBL29344340 | 0.72 | KRAS (0.48) | KRAS | |
| SCHEMBL30248982 | 0.71 | KRAS (0.52) | KRAS | |
| SCHEMBL27190964 | 0.71 | KRAS (0.52) | 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 |