Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 2/20 | 0.60 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.60 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.47 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | EEF2K | O00418 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5712558 | 0.84 | GABBR2 (0.64) | GABBR2GABBR1TNFRSF1APTGS1PTGS2 | |
| SCHEMBL5712559 | 0.84 | GABBR2 (0.64) | GABBR2GABBR1TNFRSF1APTGS1PTGS2 | |
| SCHEMBL6917697 | 0.82 | GABBR2 (0.70) | GABBR2GABBR1TNFRSF1APTGS1PTGS2 | |
| SCHEMBL6917701 | 0.82 | GABBR2 (0.70) | GABBR2GABBR1TNFRSF1APTGS1PTGS2 | |
| SCHEMBL6910749 | 0.80 | CYP3A4 (0.61) | GABBR2GABBR1TNFRSF1APTGS1PTGS2 | |
| SCHEMBL6910750 | 0.80 | CYP3A4 (0.61) | GABBR2GABBR1TNFRSF1APTGS1PTGS2 | |
| SCHEMBL11863176 | 0.80 | GABBR2 (0.59) | GABBR2GABBR1TNFRSF1APTGS1PTGS2 | |
| Methane SCHEMBL27465060 | 0.80 | GABBR2 (0.59) | GABBR2GABBR1TNFRSF1APTGS1PTGS2 | |
| SCHEMBL9657108 | 0.80 | GABBR2 (0.72) | GABBR2GABBR1TNFRSF1APTGS1PTGS2 | |
| SCHEMBL6734358 | 0.79 | GABBR2 (0.57) | GABBR2GABBR1TNFRSF1AGPR55ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0500426-A1 | 2,6-Dimethyl-4-(4'-hydroxy-3',5'-di-t-butylphenyl)-1,4-dihydropyridine derivatives, process for their preparation and their use as free radical scavengers | Instituto de Investigacion Y Desarrollo Quimico-Biologico S.A. (ES) | 1992-08-26 | — | — | EP | disclosed |