Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 1/20 | 0.56 |
| ▸ | PIK3CA | P42336 | 11/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 3/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29937408 | 0.78 | METAP2 (0.54) | METAP2PIK3CAPIK3CDPIK3CGIDO1 | |
| SCHEMBL17800049 | 0.76 | SLC6A3 (0.47) | METAP2PIK3CAROCK2 | |
| SCHEMBL21514162 | 0.75 | METAP2 (0.66) | METAP2IDO1NOS1AXLBRD4 | |
| SCHEMBL14784319 | 0.73 | METAP2 (1.00) | METAP2IDO1NOS1AXLROCK2 | |
| SCHEMBL12134770 | 0.72 | MEN1 (0.59) | ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL14252957 | 0.72 | CYP1A2 (0.62) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL27401574 | 0.71 | GRM2 (0.60) | METAP2 | |
| SCHEMBL27856463 | 0.71 | METAP2 (0.55) | METAP2IDO1NOS1AXLROCK2 | |
| SCHEMBL29870133 | 0.69 | ABCG2 (0.54) | SMN1; SMN2 | |
| SCHEMBL2837651 | 0.69 | ABCG2 (0.54) | SMN1; SMN2 |
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 |