Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.36 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 4/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | ITK | Q08881 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29937063 | 0.75 | NTRK1 (0.36) | MAPK1NTRK1 | |
| SCHEMBL15542269 | 0.73 | NTRK1 (0.40) | MAPK1NTRK1NTRK3EPHX2ITK | |
| SCHEMBL14818880 | 0.70 | MAP2K4 (0.49) | MAPK1NTRK1ITK | |
| SCHEMBL29937465 | 0.70 | ITK (0.51) | MAPK1NTRK1ITK | |
| SCHEMBL15942805 | 0.70 | ITK (0.51) | MAPK1NTRK1ITK | |
| SCHEMBL29936759 | 0.70 | NTRK1 (0.38) | MAPK1NTRK1NTRK3 | |
| SCHEMBL15540970 | 0.69 | NTRK1 (0.49) | MAPK1NTRK1NTRK3 | |
| SCHEMBL25394366 | 0.68 | NTRK1 (0.38) | MAPK1NTRK1NTRK3EPHX2 | |
| SCHEMBL16252839 | 0.67 | MAP2K4 (0.51) | MAPK1NTRK1NTRK3ITK | |
| SCHEMBL15541661 | 0.67 | NTRK1 (0.56) | NTRK1NTRK3METITK |
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 |