Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 12/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 12/20 | 0.51 |
| ▸ | MT-CO1 | P00395 | 1/20 | 0.51 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.47 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.47 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hexaprofen SCHEMBL2111016 | 0.98 | APP (0.67) | APPPTGS1PTGS2MT-CO1MT-CO2 | |
| SCHEMBL2436189 | 0.93 | APP (0.56) | APPPTGS1PTGS2MT-CO1MT-CO2 | |
| SCHEMBL11428636 | 0.85 | APP (0.51) | APPPTGS1PTGS2MT-CO1MT-CO2 | |
| SCHEMBL10443245 | 0.85 | APP (0.53) | APPHTTKMT2AHDAC1HDAC8 | |
| SCHEMBL9643202 | 0.83 | PTGS1 (0.51) | APPPTGS1PTGS2MT-CO1MT-CO2 | |
| SCHEMBL13494635 | 0.82 | APP (0.48) | APPPTGS1PTGS2MT-CO1MT-CO2 | |
| SCHEMBL5803409 | 0.81 | APP (0.53) | APPHTTKMT2AAKR1C3AKR1C2 | |
| Mexoprofen SCHEMBL2111806 | 0.80 | PTGS1 (0.47) | APPPTGS1PTGS2MT-CO1MT-CO2 | |
| Mexoprofen SCHEMBL11858696 | 0.80 | PTGS1 (0.47) | APPPTGS1PTGS2MT-CO1MT-CO2 | |
| Ximoprofen SCHEMBL505729 | 0.80 | APP (0.46) | APPPTGS1PTGS2MT-CO1MT-CO2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4186270-A | CHLOROMETHYLATION, CONVERSION TO NITRILE, METHYLATION OR ETHYLATION, HYDROLYSIS | THE DOW CHEMICAL COMPANY (US) | 1980-01-29 | — | — | US | disclosed |