Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29936778 | 0.82 | GRIN1 (0.41) | APLNRNPC1RAB9AMEN1KMT2A | |
| SCHEMBL27033303 | 0.72 | BRD4 (0.41) | APLNRNPC1PKMRAB9AMEN1 | |
| SCHEMBL29344270 | 0.72 | P2RX3 (0.40) | P2RX3APLNRMEN1KMT2AALDH1A1 | |
| SCHEMBL27186817 | 0.69 | APLNR (0.39) | P2RX3APLNRNPC1PKMRAB9A | |
| SCHEMBL23039945 | 0.69 | P2RX4 (0.45) | KMT2AALDH1A1MAPTKDM4EMAPK1 | |
| SCHEMBL23120458 | 0.68 | APLNR (0.48) | APLNRMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL25131153 | 0.67 | APLNR (0.54) | APLNRNPC1PKMRAB9AMEN1 | |
| SCHEMBL30205616 | 0.67 | APLNR (0.54) | APLNRNPC1PKMRAB9AMEN1 | |
| SCHEMBL5432840 | 0.67 | MAPT (0.54) | APLNRMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL23723081 | 0.67 | PDE1B (0.61) | — |
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 |