Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 20/20 | 0.47 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.44 |
| ▸ | EML4 | Q9HC35 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | MLNR | O43193 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | INSR | P06213 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19336965 | 0.92 | EGFR (0.48) | EGFRALKEML4KCNH2MLNR | |
| SCHEMBL19337018 | 0.87 | EGFR (0.46) | EGFRALKEML4KCNH2MLNR | |
| SCHEMBL19337026 | 0.85 | CCNT1 (0.41) | EGFRALKINSRKDRJAK3 | |
| SCHEMBL19337019 | 0.83 | EGFR (0.65) | EGFRALKEML4KCNH2MLNR | |
| SCHEMBL18607341 | 0.83 | EGFR (0.41) | EGFRALKEML4KCNH2MLNR | |
| SCHEMBL18607059 | 0.83 | EGFR (0.48) | EGFRKCNH2 | |
| SCHEMBL24240366 | 0.81 | EGFR (0.47) | EGFRALKEML4KCNH2MLNR | |
| SCHEMBL22510242 | 0.79 | EGFR (0.43) | EGFRALKEML4KCNH2 | |
| SCHEMBL30041502 | 0.78 | EGFR (0.51) | EGFRALKEML4KCNH2 | |
| SCHEMBL22510194 | 0.78 | EGFR (0.43) | EGFRALKEML4KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3216786-A1 | PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF | Shanghai Shaletech Technology Co., Ltd. (CN) | 2017-09-13 | — | — | EP | disclosed |