Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.75 |
| ▸ | ALDH2 | P05091 | 8/20 | 0.49 |
| ▸ | MAOA | P21397 | 7/20 | 0.49 |
| ▸ | MAOB | P27338 | 7/20 | 0.49 |
| ▸ | ESR1 | P03372 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ACP1 | P24666 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.46 |
| ▸ | CASP7 | P55210 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2182484 | 0.83 | PPARG (0.91) | PPARGESR1KDM4EALDH1A1ACP1 | |
| SCHEMBL3421118 | 0.83 | PPARG (0.62) | PPARGMAOAMAOBESR1KDM4E | |
| SCHEMBL14094348 | 0.82 | PPARG (0.74) | PPARGESR1KDM4EALDH1A1ACP1 | |
| SCHEMBL2181592 | 0.80 | PPARG (0.81) | PPARGESR1KDM4EALDH1A1ACP1 | |
| SCHEMBL3488072 | 0.79 | MEN1 (0.51) | PPARGMAOAMAOBESR1KDM4E | |
| SCHEMBL14094350 | 0.77 | PPARG (0.69) | PPARGESR1KDM4EALDH1A1ACP1 | |
| SCHEMBL13970374 | 0.75 | PPARG (0.71) | PPARGESR1KDM4EALDH1A1ESR2 | |
| SCHEMBL14094346 | 0.75 | PPARG (0.61) | PPARGMAOAMAOBESR1KDM4E | |
| SCHEMBL14185184 | 0.74 | PPARG (0.71) | PPARGESR1KDM4EALDH1A1ACP1 | |
| SCHEMBL8484064 | 0.73 | PPARG (0.60) | PPARGALDH2MAOAMAOBESR1 |
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-6255497-B1 | DAIDZIN DERIVATIVES AS ENZYME INHIBITORS OF ALDEHYDE DEHYDROGENASE; USEFUL IN TREATING ALCOHOLISM | THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. | 2001-07-03 | — | — | US | disclosed |