Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18035168 | 1.00 | ATAD2 (0.35) | ATAD2MAPKAPK2RPS6KA3CSNK2A1PLK3 | |
| SCHEMBL167012 | 0.74 | ATAD2 (0.56) | ATAD2DAOPDE3BPDE3A | |
| SCHEMBL2898417 | 0.73 | ATAD2 (0.54) | ATAD2DAOPDE3BPDE3A | |
| SCHEMBL29578870 | 0.72 | PDE3B (0.46) | MAPKAPK2RPS6KA3CSNK2A1PLK3PDE3B | |
| SCHEMBL2811653 | 0.69 | PKM (0.31) | — | |
| SCHEMBL24558925 | 0.68 | KDM4E (0.38) | ATAD2MAPKAPK2RPS6KA3CSNK2A1PLK3 | |
| SCHEMBL30528447 | 0.67 | — | — | |
| SCHEMBL219125 | 0.67 | — | — | |
| SCHEMBL7051447 | 0.67 | PDE3B (0.58) | DAOPDE3BPDE3A | |
| SCHEMBL27791126 | 0.66 | ATAD2 (0.46) | ATAD2DAOPDE3BPDE3A |
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 |