Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 12/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 8/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 8/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 8/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 8/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 8/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 8/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 8/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25364834 | 0.83 | PTPN11 (0.65) | PTPN11HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29167781 | 0.79 | PTPN11 (0.48) | PTPN11HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL30594000 | 0.77 | PTPN11 (0.59) | PTPN11HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL30561183 | 0.77 | PTPN11 (0.59) | PTPN11HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL20399797 | 0.77 | PTPN11 (0.59) | PTPN11HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29167774 | 0.75 | — | — | |
| SCHEMBL20399771 | 0.71 | PTPN11 (0.53) | PTPN11HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL25365596 | 0.71 | PTPN11 (0.52) | PTPN11HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL20417883 | 0.69 | PTPN11 (0.47) | PTPN11HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL16915941 | 0.69 | PTPN11 (0.71) | PTPN11HDAC3HDAC4HDAC1HDAC7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117327075-A | Bicyclic compounds as allosteric SHP2 inhibitors | 锐新医药公司 | 2024-01-02 | — | — | CN | disclosed |
| CN-110446709-B | Bicyclic compounds as allosteric SHP2 inhibitors | 锐新医药公司 | 2023-09-12 | — | — | CN | disclosed |