Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL18013209 | 0.81 | MAOA (0.36) | CDC25BALDH1A1LMNATSHR | |
| SCHEMBL30640315 | 0.81 | MAOA (0.36) | CDC25BALDH1A1LMNATSHR | |
| SCHEMBL9538581 | 0.72 | — | — | |
| SCHEMBL15386166 | 0.72 | CDC25B (0.38) | CDC25BCA1CA2CA4CA9 | |
| SCHEMBL30443999 | 0.72 | CDC25B (0.38) | CDC25BCA1CA2CA4CA9 | |
| SCHEMBL15509407 | 0.72 | TDP2 (0.45) | CDC25B | |
| SCHEMBL29448312 | 0.72 | TDP2 (0.45) | CDC25B | |
| SCHEMBL29502224 | 0.69 | GRM5 (0.47) | CDC25BCA1CA2CA4CA9 | |
| SCHEMBL3224277 | 0.69 | GRM5 (0.47) | CDC25BCA1CA2CA4CA9 | |
| Hydrochloric Acid SCHEMBL31585763 | 0.68 | GRM5 (0.46) | CDC25BCA1CA2CA4CA9 |
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 |