Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.41 |
| ▸ | MAP4K3 | Q8IVH8 | 3/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | USP7 | Q93009 | 2/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28967320 | 1.00 | HRH4 (0.41) | HRH4MAP4K3HRH3MKNK1MKNK2 | |
| SCHEMBL28076460 | 0.76 | HRH4 (0.41) | HRH4HRH3MKNK1MKNK2SLC18A3 | |
| SCHEMBL28275179 | 0.75 | PTPN11 (0.35) | — | |
| SCHEMBL28967326 | 0.71 | HRH3 (0.41) | HRH4MAP4K3HRH3CHEK1CCNA2 | |
| SCHEMBL26783151 | 0.69 | PDE10A (0.36) | CHRM4 | |
| SCHEMBL31274085 | 0.68 | MAPKAPK2 (0.37) | CDK2 | |
| SCHEMBL19069492 | 0.68 | TDO2 (0.39) | HRH4HRH3 | |
| SCHEMBL3779654 | 0.68 | HRH4 (0.45) | HRH4HRH3USP7 | |
| SCHEMBL1782431 | 0.68 | HRH4 (0.41) | HRH4MAP4K3HRH3MKNK1MKNK2 | |
| SCHEMBL25910817 | 0.68 | NOS3 (0.32) | HRH4HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115611869-A | Heterocyclic pyrazine derivative and application thereof in preparation of SHP2 inhibitor | 山东大学 | 2023-01-17 | — | — | CN | disclosed |