Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.37 |
| ▸ | KRAS | P01116 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5067145 | 0.78 | MKNK1 (0.54) | MKNK1KDM4EGAAALDH1A1GLA | |
| SCHEMBL29344480 | 0.74 | SLC6A2 (0.38) | KRASKDM4EALDH1A1CXCR4POLB | |
| SCHEMBL31171579 | 0.73 | LRRK2 (0.36) | KRASKDM4EALDH1A1CXCR4POLB | |
| SCHEMBL29875878 | 0.72 | LTA4H (0.33) | LTA4HTSHRHIF1A | |
| SCHEMBL29634788 | 0.71 | KRAS (0.45) | KRAS | |
| SCHEMBL29697753 | 0.71 | ALDH1A1 (0.36) | KRASKDM4EALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL28335032 | 0.68 | PDE10A (0.38) | MKNK1PDE10AHPGDKDM4EGAA | |
| SCHEMBL2420211 | 0.68 | HTR3A (0.67) | HPGDKDM4EGAAALDH1A1GLA | |
| SCHEMBL29460463 | 0.68 | HTR3A (0.67) | HPGDKDM4EGAAALDH1A1GLA | |
| SCHEMBL30117493 | 0.66 | MEN1 (0.55) | MKNK1LTA4HHSD17B10 |
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 |