Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | PDE9A | O76083 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL29344263 | 1.00 | KDM4E (0.40) | KDM4ELMNATSHRAPLNRCA2 | |
| SCHEMBL29344270 | 0.79 | P2RX3 (0.40) | KDM4ELMNATSHRAPLNRALDH1A1 | |
| SCHEMBL29344499 | 0.76 | PDE9A (0.42) | KDM4EALDH1A1GRIN1GRIN2BMAPT | |
| SCHEMBL27033303 | 0.72 | BRD4 (0.41) | KDM4ELMNAAPLNRALDH1A1MEN1 | |
| SCHEMBL4172007 | 0.71 | KDM4E (0.43) | KDM4ELMNATSHRAPLNRALDH1A1 | |
| SCHEMBL28301483 | 0.70 | PNP (0.55) | KDM4EAPLNRGRIN1GRIN2BPDE9A | |
| SCHEMBL3231780 | 0.70 | MEN1 (0.45) | KDM4ELMNAALDH1A1MEN1KMT2A | |
| SCHEMBL3229932 | 0.69 | ALDH1A1 (0.52) | KDM4ELMNAALDH1A1MEN1KMT2A | |
| SCHEMBL29936778 | 0.69 | GRIN1 (0.41) | KDM4ELMNAAPLNRALDH1A1MEN1 | |
| SCHEMBL19577097 | 0.68 | HSD17B10 (0.62) | KDM4ELMNATSHRALDH1A1MEN1 |
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 |