Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.38 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6638222 | 1.00 | TRPA1 (0.43) | TRPA1CYP2A6CNR2LMNACFTR | |
| SCHEMBL31219765 | 0.82 | KDM4E (0.36) | LMNACYP3A4CYP2C19PTGS2MAPT | |
| SCHEMBL27739484 | 0.82 | CYP2A6 (0.50) | TRPA1CYP2A6CNR2LMNACFTR | |
| SCHEMBL31326799 | 0.81 | TOP2A (0.34) | CNR2PDE4APDE4CPDE4DPTGS2 | |
| SCHEMBL31326800 | 0.81 | TOP2A (0.34) | CNR2PDE4APDE4CPDE4DPTGS2 | |
| SCHEMBL3789408 | 0.80 | PDE4A (0.47) | LMNACYP3A4TSHRPDE4APDE4C | |
| SCHEMBL10335324 | 0.79 | PLAU (0.47) | TRPA1CYP2A6CNR2LMNAF12 | |
| SCHEMBL27571935 | 0.79 | CYP2A6 (0.52) | TRPA1CYP2A6CNR2LMNAF12 | |
| SCHEMBL3546509 | 0.77 | TRPA1 (0.52) | TRPA1LMNAPLAUNOS3NOS1 | |
| SCHEMBL29308280 | 0.77 | PDE4A (0.41) | CYP2C19PDE4APDE4CPDE4DPTGS2 |
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 |