Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL648767 | 0.69 | — | — | |
| SCHEMBL15940607 | 0.68 | ADORA3 (0.44) | ALDH1A1 | |
| SCHEMBL29977359 | 0.68 | TRPM4 (0.33) | ALDH1A1 | |
| SCHEMBL27770259 | 0.65 | ALDH1A1 (0.32) | ALDH1A1HIF1ACYP1B1HSD17B10 | |
| SCHEMBL2418686 | 0.62 | CYP2A6 (0.50) | CYP1A2CYP2A6ALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL27779935 | 0.61 | NCF1 (0.33) | CYP1A2CYP2A6ALDH1A1HIF1ACYP1B1 | |
| SCHEMBL12278288 | 0.61 | HPRT1 (0.50) | CYP1A2CYP2A6ALDH1A1HIF1ACYP1B1 | |
| SCHEMBL12405251 | 0.61 | HPRT1 (0.50) | CYP1A2CYP2A6ALDH1A1HIF1ACYP1B1 | |
| SCHEMBL4572766 | 0.60 | GABRP (0.33) | CYP1A2ALDH1A1 | |
| SCHEMBL738593 | 0.60 | ALDH1A1 (0.44) | CYP1A2CYP2A6ALDH1A1HIF1ACYP1B1 |
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 |