Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 14/20 | 0.67 |
| ▸ | PTGS2 | P35354 | 14/20 | 0.67 |
| ▸ | MT-CO1 | P00395 | 1/20 | 0.67 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.67 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.56 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.56 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.56 |
| ▸ | ALB | P02768 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.56 |
| ▸ | RARB | P10826 | 1/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL9063786 | 1.00 | PTGS1 (0.67) | PTGS1PTGS2MT-CO1MT-CO2OPRK1 | |
| SCHEMBL1345176 | 0.98 | PTGS1 (0.65) | PTGS1PTGS2MT-CO1MT-CO2OPRK1 | |
| SCHEMBL9063258 | 0.98 | PTGS1 (0.65) | PTGS1PTGS2MT-CO1MT-CO2OPRK1 | |
| SCHEMBL11195904 | 0.86 | PTGS1 (0.64) | PTGS1PTGS2MT-CO1MT-CO2OPRK1 | |
| SCHEMBL11185009 | 0.83 | KEAP1 (0.50) | PTGS1PTGS2MT-CO1MT-CO2OPRK1 | |
| SCHEMBL10883113 | 0.83 | PTGS1 (0.94) | PTGS1PTGS2MT-CO1MT-CO2OPRK1 | |
| SCHEMBL9063276 | 0.83 | PTGS1 (0.94) | PTGS1PTGS2MT-CO1MT-CO2OPRK1 | |
| SCHEMBL23190505 | 0.83 | KEAP1 (0.48) | PTGS1PTGS2MT-CO1MT-CO2OPRK1 | |
| SCHEMBL9139198 | 0.83 | PTGS1 (0.94) | PTGS1PTGS2MT-CO1MT-CO2OPRK1 | |
| SCHEMBL1345174 | 0.81 | LTB4R (0.46) | PTGS1PTGS2MT-CO1MT-CO2OPRK1 |
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-2022052936-A1 | ARYL PROPIONIC ACID DERIVATIVE, PHARMACEUTICAL COMPOSITION, AND METHOD FOR PREPARATION THEREOF AND APPLICATION THEREOF | 南京海融医药科技股份有限公司 | 2022-03-17 | — | — | WO | disclosed |