Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 4/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL29937525 | 0.89 | CHRM3 (0.42) | CHRM3CHRM2MEN1ALDH1A1LMNA | |
| SCHEMBL29344022 | 0.86 | KMT2A (0.43) | CHRM3CHRM2KDM4EALDH1A1MAPT | |
| SCHEMBL29937528 | 0.78 | CHRM3 (0.41) | CHRM3CHRM2KDM4EMEN1ALDH1A1 | |
| SCHEMBL25566965 | 0.78 | CHRM3 (0.43) | CHRM3CHRM2MEN1ALDH1A1LMNA | |
| SCHEMBL29936728 | 0.78 | KMT2A (0.43) | CHRM3CHRM2KDM4EALDH1A1MAPT | |
| SCHEMBL30998665 | 0.76 | KMT2A (0.42) | CHRM3CHRM2KDM4EALDH1A1MAPT | |
| SCHEMBL25566734 | 0.76 | FUCA1 (0.42) | CHRM3CHRM2OPRM1ALDH1A1 | |
| SCHEMBL25566966 | 0.75 | CYP2D6 (0.42) | CHRM3CHRM2SIGMAR1ALDH1A1CYP2D6 | |
| SCHEMBL25566735 | 0.74 | ACHE (0.38) | CHRM3CHRM2GAA | |
| SCHEMBL29936722 | 0.74 | JAK1 (0.41) | KMT2A |
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 |