Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.49 |
| ▸ | PPARG | P37231 | 5/20 | 0.48 |
| ▸ | PPARA | Q07869 | 5/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | MDM2 | Q00987 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | VNN1 | O95497 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5753077 | 0.89 | GSK3B (0.46) | GSK3BPPARGPPARAEPHX2MDM2 | |
| SCHEMBL5751703 | 0.88 | MDM2 (0.62) | GSK3BPPARGPPARAEPHX2MDM2 | |
| SCHEMBL5751205 | 0.84 | PPARG (0.54) | GSK3BPPARGPPARAEPHX2MDM2 | |
| SCHEMBL5751165 | 0.84 | PPARG (0.54) | GSK3BPPARGPPARAEPHX2MDM2 | |
| SCHEMBL10466245 | 0.84 | GSK3B (0.50) | GSK3BPPARGPPARAEPHX2L3MBTL1 | |
| SCHEMBL11251320 | 0.82 | FFAR1 (0.58) | GSK3BPPARGPPARAEPHX2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL5749834 | 0.81 | GRB2 (0.48) | GSK3BSRD5A2CES2CES1VNN1 | |
| SCHEMBL5753315 | 0.79 | CA2 (0.54) | GSK3BPPARGPPARAEPHX2L3MBTL1 | |
| SCHEMBL5751767 | 0.79 | CA2 (0.54) | GSK3BPPARGPPARAEPHX2L3MBTL1 | |
| SCHEMBL28901132 | 0.79 | GRB2 (0.68) | PPARGPPARAPTPN1 |
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-1362846-A1 | AMINOETHANOL DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2003-11-19 | — | — | EP | disclosed |