Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.34 |
| ▸ | SUV39H2 | Q9H5I1 | 4/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 6/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.32 |
| ▸ | CKS1B | P61024 | 1/20 | 0.31 |
| ▸ | SKP1 | P63208 | 1/20 | 0.31 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 2/20 | 0.30 |
| ▸ | JAK3 | P52333 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.30 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL19785088 | 1.00 | KIF18A (0.34) | KIF18ASUV39H2PTPN11EGFRKCNH2 | |
| SCHEMBL21115294 | 0.88 | PTPN11 (0.35) | PTPN11EGFRKCNH2OPRK1 | |
| SCHEMBL21115087 | 0.88 | PTPN11 (0.35) | PTPN11EGFRKCNH2OPRK1 | |
| SCHEMBL30511954 | 0.86 | KIF18A (0.31) | KIF18ASUV39H2PTPN11 | |
| SCHEMBL19785283 | 0.86 | KIF18A (0.31) | KIF18ASUV39H2PTPN11 | |
| SCHEMBL19785570 | 0.84 | CKS1B (0.36) | KIF18ASUV39H2PTPN11OPRM1OPRD1 | |
| SCHEMBL30296031 | 0.84 | CKS1B (0.36) | KIF18ASUV39H2PTPN11OPRM1OPRD1 | |
| SCHEMBL30110917 | 0.82 | PTPN11 (0.41) | PTPN11EGFRKCNH2 | |
| SCHEMBL19785350 | 0.82 | PTPN11 (0.41) | PTPN11EGFRKCNH2 | |
| SCHEMBL30538222 | 0.81 | RET (0.36) | PTPN11CNR1CNR2 |
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-109983001-B | 2, 5-disubstituted 3-methylpyrazines and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors | 锐新医药公司 | 2023-04-04 | — | — | CN | disclosed |