Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FUCA1 | P04066 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 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 | |
|---|---|---|---|---|
| SCHEMBL27158965 | 1.00 | FUCA1 (0.45) | FUCA1SIGMAR1ACHEMC4RS1PR1 | |
| SCHEMBL29344047 | 1.00 | FUCA1 (0.45) | FUCA1SIGMAR1ACHEMC4RS1PR1 | |
| SCHEMBL27221947 | 0.74 | SMN1; SMN2 (0.38) | KMT2A | |
| SCHEMBL31380717 | 0.73 | SMN1; SMN2 (0.48) | SIGMAR1MEN1KMT2A | |
| SCHEMBL22593919 | 0.73 | FUCA1 (0.61) | FUCA1SIGMAR1ACHEMC4RS1PR1 | |
| SCHEMBL25329264 | 0.72 | CYP2B6 (0.42) | MEN1KMT2AGBA1 | |
| SCHEMBL29343998 | 0.72 | CYP2B6 (0.42) | MEN1KMT2AGBA1 | |
| SCHEMBL12384414 | 0.72 | FUCA1 (0.55) | FUCA1SIGMAR1ACHEMC4RS1PR1 | |
| SCHEMBL20236236 | 0.71 | FUCA1 (0.50) | FUCA1SIGMAR1ACHEMC4RS1PR1 | |
| SCHEMBL6422796 | 0.71 | SIGMAR1 (0.62) | SIGMAR1ACHEMC4RMEN1KMT2A |
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 |