Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31256286 | 0.84 | TAAR1 (0.30) | — | |
| SCHEMBL29937183 | 0.79 | SOS1 (0.32) | TDP1 | |
| SCHEMBL23043217 | 0.79 | SOS1 (0.32) | TDP1 | |
| SCHEMBL3155327 | 0.79 | CA2 (0.40) | MEN1KMT2AALDH1A1 | |
| SCHEMBL19617225 | 0.76 | GRM5 (0.32) | — | |
| SCHEMBL25180363 | 0.76 | MAPT (0.31) | MEN1KMT2A | |
| SCHEMBL31291676 | 0.74 | GRM5 (0.35) | MEN1KMT2A | |
| SCHEMBL30922441 | 0.73 | CA1 (0.40) | ALDH1A1 | |
| SCHEMBL31662216 | 0.73 | — | — | |
| SCHEMBL19616829 | 0.73 | PGR (0.34) | ALDH1A1 |
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 |