Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 16/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30137527 | 0.86 | PTPN11 (0.50) | PTPN11KCNH2CCNT1 | |
| SCHEMBL30137467 | 0.85 | PTPN11 (0.53) | PTPN11KCNH2CCNT1IRAK4 | |
| SCHEMBL30137522 | 0.83 | PTPN11 (0.52) | PTPN11KCNH2CCNT1 | |
| SCHEMBL30137526 | 0.79 | PTPN11 (0.45) | PTPN11KCNH2 | |
| SCHEMBL30137457 | 0.78 | PTPN11 (0.51) | PTPN11KCNH2CCNT1IRAK4 | |
| SCHEMBL19785257 | 0.77 | PTPN11 (0.38) | PTPN11KCNH2CCNT1 | |
| SCHEMBL25514421 | 0.74 | CCNT1 (0.45) | PTPN11KCNH2CCNT1IRAK4 | |
| SCHEMBL25514397 | 0.73 | PTPN11 (0.44) | PTPN11KCNH2CCNT1 | |
| SCHEMBL19785567 | 0.73 | PTPN11 (0.42) | PTPN11KCNH2CCNT1IRAK4 | |
| SCHEMBL25514404 | 0.73 | PTPN11 (0.43) | PTPN11KCNH2CCNT1 |
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 3 patents. 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 | claimed |
| CN-115611869-B | Heterocyclic pyrazine derivative and application thereof in preparation of SHP2 inhibitor | 山东大学 | 2024-08-09 | — | — | CN | disclosed |
| CN-115611869-A | Heterocyclic pyrazine derivative and application thereof in preparation of SHP2 inhibitor | 山东大学 | 2023-01-17 | — | — | CN | disclosed |