Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 7/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | SCN4A | P35499 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | CCR4 | P51679 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24034250 | 1.00 | PTPN11 (0.53) | PTPN11EGFRKCNH2CDC7DBF4 | |
| SCHEMBL24033828 | 0.90 | PTPN11 (0.50) | PTPN11EGFRKCNH2CDC7DBF4 | |
| SCHEMBL23186861 | 0.79 | PTPN11 (0.58) | PTPN11EGFRKCNH2CDC7DBF4 | |
| SCHEMBL30295860 | 0.79 | PTPN11 (0.58) | PTPN11EGFRKCNH2CDC7DBF4 | |
| SCHEMBL24034170 | 0.79 | PTPN11 (0.46) | PTPN11EGFRKCNH2CDC7DBF4 | |
| SCHEMBL24033835 | 0.79 | PTPN11 (0.48) | PTPN11EGFRKCNH2CDC7DBF4 | |
| SCHEMBL24033696 | 0.79 | PTPN11 (0.40) | PTPN11EGFRKCNH2MAP2K4 | |
| SCHEMBL24033715 | 0.79 | PTPN11 (0.48) | PTPN11EGFRKCNH2CDC7DBF4 | |
| SCHEMBL24033834 | 0.79 | PTPN11 (0.48) | PTPN11EGFRKCNH2CDC7DBF4 | |
| SCHEMBL24033831 | 0.79 | PTPN11 (0.48) | PTPN11EGFRKCNH2CDC7DBF4 |
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-115353509-B | Nitrogen-containing heteroaromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-115353509-A | Aza-containing aromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-11-18 | — | — | CN | disclosed |
| CN-111295374-B | Aza-containing aromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-11-04 | — | — | CN | disclosed |