Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | SCN4A | P35499 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.55 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.55 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.55 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.55 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.55 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.55 |
| ▸ | PTPN11 | Q06124 | 18/20 | 0.51 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29041371 | 1.00 | MAPK1 (0.55) | MAPK1CYP2D6MAOAADRA1ASCN4A | |
| SCHEMBL7059600 | 0.87 | MAPK1 (0.59) | MAPK1CYP2D6MAOAADRA1ASCN4A | |
| SCHEMBL29542922 | 0.87 | MAPK1 (0.59) | MAPK1CYP2D6MAOAADRA1ASCN4A | |
| SCHEMBL30502499 | 0.77 | MAPK1 (0.56) | MAPK1CYP2D6MAOAADRA1ASCN4A | |
| SCHEMBL30295969 | 0.77 | MAPK1 (0.44) | MAPK1CYP2D6MAOAADRA1ASCN4A | |
| SCHEMBL30295800 | 0.77 | PTPN11 (0.45) | MAPK1CYP2D6MAOAADRA1ASCN4A | |
| SCHEMBL19785050 | 0.77 | MAPK1 (0.44) | MAPK1CYP2D6MAOAADRA1ASCN4A | |
| SCHEMBL976695 | 0.77 | SCN2A (0.62) | MAPK1CYP2D6MAOAADRA1ASCN4A | |
| SCHEMBL19785030 | 0.77 | PTPN11 (0.45) | MAPK1CYP2D6MAOAADRA1ASCN4A | |
| SCHEMBL30296035 | 0.76 | ALOX15 (0.46) | MAPK1CYP2D6MAOAADRA1ASCN4A |
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-116478131-A | 2, 5-disubstituted and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors | 锐新医药公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-116478132-A | 2, 5-disubstituted and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors | 锐新医药公司 | 2023-07-25 | — | — | CN | disclosed |
| 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 |