Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 7/20 | 0.48 |
| ▸ | LCK | P06239 | 2/20 | 0.48 |
| ▸ | NQO2 | P16083 | 2/20 | 0.47 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1824384 | 0.88 | LCK (0.61) | BACE1PTGS1PTGS2ALOX5LCK | |
| SCHEMBL1824386 | 0.88 | LCK (0.61) | BACE1PTGS1PTGS2ALOX5LCK | |
| SCHEMBL1825879 | 0.84 | BACE1 (0.70) | BACE1PTGS1PTGS2ALOX5LCK | |
| SCHEMBL1825877 | 0.84 | BACE1 (0.70) | BACE1PTGS1PTGS2ALOX5LCK | |
| SCHEMBL172757 | 0.82 | ALOX5 (0.66) | BACE1PTGS1PTGS2ALOX5LCK | |
| SCHEMBL1824536 | 0.80 | PTGS1 (0.68) | PTGS1PTGS2ALOX5LCKTTR | |
| SCHEMBL1824535 | 0.80 | PTGS1 (0.68) | PTGS1PTGS2ALOX5LCKTTR | |
| SCHEMBL24222559 | 0.78 | TUBB1 (0.57) | BACE1PTGS1PTGS2ALOX5LCK | |
| SCHEMBL10054225 | 0.78 | LCK (0.56) | BACE1PTGS1PTGS2ALOX5LCK | |
| SCHEMBL17356222 | 0.78 | KDM4E (0.68) | BACE1PTGS1PTGS2ALOX5LCK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023133875-A1 | MULTIFUNCTIONAL GROUP METAL CORROSION INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 嘉庚创新实验室 | 2023-07-20 | — | — | WO | disclosed |