Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | PPARA | Q07869 | 6/20 | 0.34 |
| ▸ | PPARG | P37231 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ITGAV | P06756 | 1/20 | 0.31 |
| ▸ | ACE | P12821 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14842871 | 0.85 | ALDH1A1 (0.38) | ALDH1A1PPARAPPARGMAPTSMN1; SMN2 | |
| SCHEMBL14850399 | 0.85 | ALDH1A1 (0.38) | ALDH1A1PPARAPPARGMAPTSMN1; SMN2 | |
| SCHEMBL21955687 | 0.80 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19HTTALDH1A1 | |
| SCHEMBL14850400 | 0.80 | ITGB1 (0.33) | MAPT | |
| SCHEMBL20077203 | 0.79 | MAPT (0.33) | ALDH1A1MAPT | |
| SCHEMBL17090708 | 0.79 | ACE (0.34) | CYP1A2ITGB3ITGA2BACE | |
| SCHEMBL16260004 | 0.76 | MAPT (0.34) | ALDH1A1MAPT | |
| SCHEMBL16259998 | 0.76 | NOD1 (0.39) | — | |
| SCHEMBL14850396 | 0.75 | MAPT (0.33) | ALDH1A1MAPT | |
| SCHEMBL16260005 | 0.71 | GLO1 (0.38) | ACE |
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 |