Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29344065 | 1.00 | MEN1 (0.45) | MEN1KMT2ANPC1GRM1CYP3A4 | |
| SCHEMBL3675238 | 0.85 | MEN1 (0.53) | MEN1KMT2ANPC1GRM1GRM5 | |
| SCHEMBL22029116 | 0.81 | KMT2A (0.45) | MEN1KMT2AGRM1GRM5ALDH1A1 | |
| SCHEMBL3641427 | 0.75 | MEN1 (0.45) | MEN1KMT2ACYP3A4NFKB1PMP22 | |
| SCHEMBL29344067 | 0.75 | MEN1 (0.45) | MEN1KMT2ACYP3A4NFKB1PMP22 | |
| SCHEMBL1922080 | 0.73 | SMN1; SMN2 (0.56) | MEN1KMT2ANPC1GRM1ALDH1A1 | |
| SCHEMBL11584879 | 0.73 | NPC1 (0.68) | MEN1KMT2ANPC1GRM1GRM5 | |
| SCHEMBL22028943 | 0.73 | MEN1 (0.43) | MEN1KMT2ACYP3A4NFKB1PMP22 | |
| SCHEMBL30826847 | 0.73 | MEN1 (0.43) | MEN1KMT2ACYP3A4NFKB1PMP22 | |
| SCHEMBL501694 | 0.72 | NPSR1 (0.59) | MEN1KMT2ANPC1CYP3A4GRM5 |
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 |