Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | GSTK1 | Q9Y2Q3 | 1/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22015955 | 0.76 | PTGS1 (0.49) | PTGS1GSTK1GLO1 | |
| SCHEMBL22015913 | 0.71 | PTGS1 (0.64) | PTGS1GSTK1GLO1 | |
| SCHEMBL22015926 | 0.71 | PTGS1 (0.64) | PTGS1GSTK1GLO1 | |
| SCHEMBL20077213 | 0.69 | PTGS1 (0.67) | PTGS1GSTK1GLO1 | |
| SCHEMBL20077231 | 0.69 | PTGS1 (0.67) | PTGS1GSTK1GLO1 | |
| SCHEMBL11870652 | 0.69 | PTGS1 (0.57) | PTGS1GSTK1GLO1 | |
| SCHEMBL11870629 | 0.69 | PTGS1 (0.57) | PTGS1GSTK1GLO1 | |
| SCHEMBL22015828 | 0.67 | PTGS1 (0.64) | PTGS1GSTK1GLO1 | |
| SCHEMBL22015660 | 0.67 | PTGS1 (0.64) | PTGS1GSTK1GLO1 | |
| SCHEMBL4677204 | 0.66 | PTGS1 (0.56) | PTGS1GSTK1GLO1 |
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-2018071741-A1 | SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR USE IN MEDICINE | EPICENTRIX, INC. (US) | 2018-04-19 | — | — | WO | disclosed |