Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL25547756 | 0.80 | LRRK2 (0.33) | — | |
| SCHEMBL20756446 | 0.76 | IKBKB (0.39) | — | |
| SCHEMBL24652846 | 0.70 | ADORA2A (0.33) | ADORA2AADORA2BDYRK1A | |
| SCHEMBL29937140 | 0.70 | — | — | |
| SCHEMBL29344157 | 0.70 | — | — | |
| SCHEMBL24455089 | 0.68 | ADORA2A (0.34) | ADORA2AADORA2B | |
| SCHEMBL26364773 | 0.68 | GRIN2D (0.34) | ADORA2AADORA2BDYRK1A | |
| SCHEMBL23206123 | 0.68 | METAP2 (0.47) | — | |
| SCHEMBL20809374 | 0.67 | GRIN2D (0.39) | ADORA2AADORA2BDYRK1A | |
| SCHEMBL18408664 | 0.67 | CYP1A2 (0.37) | ADORA2AADORA2BDYRK1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023097227-A1 | SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS | MERCK SHARP & DOHME LLC (US) | 2023-06-01 | — | — | WO | disclosed |