Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 11/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.56 |
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 7/20 | 0.39 |
| ▸ | DRD3 | P35462 | 6/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24033797 | 1.00 | PTPN11 (0.60) | PTPN11KCNH2EGFRDRD2DRD3 | |
| SCHEMBL24033795 | 0.83 | PTPN11 (0.69) | PTPN11KCNH2EGFRDRD2DRD3 | |
| SCHEMBL30040744 | 0.83 | PTPN11 (0.69) | PTPN11KCNH2EGFRDRD2DRD3 | |
| SCHEMBL24033719 | 0.81 | PTPN11 (0.66) | PTPN11KCNH2EGFR | |
| SCHEMBL23070803 | 0.79 | PTPN11 (0.71) | PTPN11KCNH2EGFR | |
| SCHEMBL30040568 | 0.78 | PTPN11 (0.61) | PTPN11KCNH2EGFRDRD2DRD3 | |
| SCHEMBL24034239 | 0.78 | PTPN11 (0.61) | PTPN11KCNH2EGFRDRD2DRD3 | |
| SCHEMBL25514319 | 0.77 | PTPN11 (0.84) | PTPN11KCNH2EGFR | |
| SCHEMBL23083765 | 0.76 | PTPN11 (0.75) | PTPN11KCNH2EGFR | |
| SCHEMBL23083697 | 0.76 | PTPN11 (0.75) | PTPN11KCNH2EGFR |
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 |