Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 2/20 | 0.34 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.34 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.34 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| Quinazoline SCHEMBL5920 | 0.76 | EGFR (1.00) | EGFRALDH1A1PIK3CDPIK3CAMAPT | |
| Quinazoline SCHEMBL29356169 | 0.76 | EGFR (1.00) | EGFRALDH1A1PIK3CDPIK3CAMAPT | |
| Quinazoline SCHEMBL22833783 | 0.76 | EGFR (1.00) | EGFRALDH1A1PIK3CDPIK3CAMAPT | |
| Quinazoline SCHEMBL29490398 | 0.76 | EGFR (1.00) | EGFRALDH1A1PIK3CDPIK3CAMAPT | |
| SCHEMBL3196932 | 0.74 | EGFR (0.95) | EGFRALDH1A1PIK3CDPIK3CACYP1A2 | |
| Quinazoline SCHEMBL5579413 | 0.74 | EGFR (0.95) | EGFRALDH1A1PIK3CDPIK3CAMAPT | |
| Quinazoline SCHEMBL1119374 | 0.74 | EGFR (0.95) | EGFRALDH1A1PIK3CDPIK3CAMAPT | |
| Quinazoline SCHEMBL21055790 | 0.74 | EGFR (0.95) | EGFRALDH1A1PIK3CDPIK3CAMAPT | |
| Quinazoline SCHEMBL19877280 | 0.74 | EGFR (0.95) | EGFRALDH1A1PIK3CDPIK3CAMAPT | |
| Quinazoline SCHEMBL167076 | 0.74 | EGFR (0.95) | EGFRALDH1A1PIK3CDPIK3CAMAPT |
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 |