Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | TYMS | P04818 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 5/20 | 0.35 |
| ▸ | ACHE | P22303 | 5/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 5/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17844908 | 0.77 | BACE1 (0.44) | BACE1NPC1TYMSKDM4EABL1 | |
| SCHEMBL29344179 | 0.77 | MPO (0.37) | NPC1TYMSKDM4ECA3CA6 | |
| SCHEMBL1133961 | 0.74 | TRPM4 (0.45) | BACE1KDM4EACHEALDH1A1CYP1A2 | |
| SCHEMBL30998686 | 0.73 | BACE1 (0.41) | BACE1NPC1TYMSABL1BCHE | |
| SCHEMBL22063607 | 0.73 | BACE1 (0.41) | BACE1TYMSABL1BCHEACHE | |
| SCHEMBL22063697 | 0.73 | REN (0.43) | BACE1TYMSKDM4EABL1ALDH1A1 | |
| SCHEMBL27051371 | 0.73 | BACE1 (0.41) | BACE1TYMSABL1BCHEACHE | |
| SCHEMBL19497124 | 0.73 | SCN9A (0.36) | NPC1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL4818109 | 0.72 | BACE1 (0.52) | BACE1NPC1TYMSKDM4EBCHE | |
| SCHEMBL13975523 | 0.72 | NPC1 (0.46) | BACE1NPC1KDM4EBCHEACHE |
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 |