Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 3/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | OGA | O60502 | 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 | |
|---|---|---|---|---|
| SCHEMBL22402147 | 0.76 | CHRNB2 (0.44) | IRAK4CYP2D6HSD11B1 | |
| SCHEMBL27454752 | 0.71 | KCNH2 (0.34) | CYP2D6 | |
| SCHEMBL24878960 | 0.71 | KCNH2 (0.34) | CYP2D6 | |
| SCHEMBL24408844 | 0.71 | IRAK4 (0.36) | IRAK4CYP2D6 | |
| SCHEMBL22520498 | 0.68 | IRAK4 (0.37) | IRAK4CYP2D6 | |
| SCHEMBL27452905 | 0.68 | IRAK4 (0.37) | IRAK4CYP2D6 | |
| SCHEMBL24408924 | 0.67 | CYP2D6 (0.32) | IRAK4CYP2D6 | |
| SCHEMBL21145503 | 0.66 | CYP2D6 (0.46) | IRAK4CYP2D6CCR1HSD11B1 | |
| SCHEMBL24091214 | 0.64 | PTPN11 (0.43) | CYP2D6 | |
| SCHEMBL20364793 | 0.63 | KCNH2 (0.34) | OGA |
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-2023282702-A1 | SHP2 INHIBITOR AND USE THEREOF | 주식회사 카나프테라퓨틱스 | 2023-01-12 | — | — | WO | disclosed |