Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 5/20 | 0.37 |
| ▸ | PTK2 | Q05397 | 5/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | TXNRD1 | Q16881 | 5/20 | 0.36 |
| ▸ | TXNRD3 | Q86VQ6 | 5/20 | 0.36 |
| ▸ | TXNRD2 | Q9NNW7 | 5/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20144423 | 0.95 | BCHE (0.36) | BCHEACHEMAOBEGFRPTK2 | |
| SCHEMBL1191060 | 0.92 | EGFR (0.41) | BCHEACHEMAOBEGFRPTK2 | |
| SCHEMBL20144415 | 0.87 | BCHE (0.44) | BCHEACHEMAOBEGFRPTK2 | |
| SCHEMBL1697663 | 0.87 | KCNJ1 (0.37) | BCHEACHEMAOBEGFRPTK2 | |
| SCHEMBL9798631 | 0.81 | EGFR (0.34) | BCHEACHEMAOBEGFRPTK2 | |
| SCHEMBL13840466 | 0.77 | KCNJ1 (0.33) | EGFRPTK2PTGS1PTGS2KCNJ1 | |
| SCHEMBL12409512 | 0.74 | BCHE (0.40) | BCHEACHEMAOBEGFRPTK2 | |
| SCHEMBL18040228 | 0.74 | BCHE (0.40) | BCHEACHEMAOBEGFRPTK2 | |
| SCHEMBL18040229 | 0.74 | BCHE (0.40) | BCHEACHEMAOBEGFRPTK2 | |
| SCHEMBL17637220 | 0.71 | TXNRD1 (0.59) | BCHEACHEMAOBEGFRPTK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3321259-B1 | NEW PYRAZINE DERIVATIVE, AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF | GUANGZHOU MAGPIE PHARMACEUTICAL CO LTD (CN) | 2023-10-04 | — | — | EP | disclosed |
| EP-3321259-A1 | NEW PYRAZINE DERIVATIVE, AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF | Guangzhou Magpie Pharmaceutical Co., Ltd. (CN) | 2018-05-16 | — | — | EP | disclosed |