Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 15/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 11/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.31 |
| ▸ | GLRB | P48167 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8766812 | 0.71 | PTGS1 (0.58) | PTGS1PTGS2CA2CA1ALOX5 | |
| SCHEMBL8152293 | 0.70 | CYP2C19 (0.46) | PTGS1PTGS2GAACA2CA1 | |
| SCHEMBL15173818 | 0.66 | CA2 (0.59) | PTGS1PTGS2GAACA2CA1 | |
| SCHEMBL515839 | 0.61 | ALDH1A1 (0.56) | PTGS1PTGS2GAACA2CA1 | |
| SCHEMBL9180823 | 0.60 | PTGS1 (1.00) | PTGS1PTGS2CA2CA1ALOX5 | |
| SCHEMBL13400274 | 0.60 | SMN1; SMN2 (0.54) | PTGS1PTGS2GAACA2CA1 | |
| SCHEMBL27943614 | 0.59 | CA2 (0.61) | PTGS1PTGS2GAACA2CA1 | |
| SCHEMBL9731608 | 0.59 | HPN (0.49) | PTGS1PTGS2CA2CA1ALDH1A1 | |
| SCHEMBL11521507 | 0.58 | CA2 (0.48) | PTGS1PTGS2GAACA2CA1 | |
| SCHEMBL20657093 | 0.57 | CA2 (0.65) | GAACA2CA1GLRA3GLRB |
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-5256680-A | 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxy-phenyl-1,2,4-thiadazoles, oxadiazoles and triazoles as antiinflammatory agents | WARNER-LAMBERT COMPANY (US) | 1993-10-26 | — | — | US | disclosed |