Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 5/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | PDE9A | O76083 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27033303 | 0.82 | BRD4 (0.41) | GRIN1GRIN2BALDH1A1MAPTMEN1 | |
| SCHEMBL29937360 | 0.82 | P2RX3 (0.41) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL4172007 | 0.77 | KDM4E (0.43) | GRIN1GRIN2BALDH1A1MAPTKDM4E | |
| SCHEMBL21617563 | 0.74 | LMNA (0.51) | GRIN1GRIN2BALDH1A1MEN1KMT2A | |
| SCHEMBL23120458 | 0.72 | APLNR (0.48) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL28301483 | 0.72 | PNP (0.55) | GRIN1GRIN2BKDM4EAPLNRPDE9A | |
| SCHEMBL29344499 | 0.71 | PDE9A (0.42) | GRIN1GRIN2BALDH1A1MAPTKDM4E | |
| SCHEMBL29937239 | 0.69 | KDM4E (0.40) | GRIN1GRIN2BALDH1A1MAPTMEN1 | |
| SCHEMBL29344263 | 0.69 | KDM4E (0.40) | GRIN1GRIN2BALDH1A1MAPTMEN1 | |
| SCHEMBL3229932 | 0.69 | ALDH1A1 (0.52) | ALDH1A1MAPTMEN1KMT2AKDM4E |
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 |