Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 18/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28056546 | 0.81 | GPBAR1 (0.56) | GPBAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12098102 | 0.78 | GPBAR1 (1.00) | GPBAR1 | |
| SCHEMBL1868987 | 0.74 | CYP1A2 (0.46) | GPBAR1ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1867632 | 0.74 | GPBAR1 (0.69) | GPBAR1CYP3A4 | |
| SCHEMBL1870080 | 0.74 | GPBAR1 (0.60) | GPBAR1CYP3A4 | |
| SCHEMBL1876978 | 0.73 | GPBAR1 (0.59) | GPBAR1CYP3A4 | |
| SCHEMBL12098023 | 0.73 | GPBAR1 (1.00) | GPBAR1 | |
| SCHEMBL1868986 | 0.73 | GPBAR1 (0.45) | GPBAR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5555501 | 0.73 | GPBAR1 (0.45) | GPBAR1ALDH1A1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL30376925 | 0.73 | GPBAR1 (0.76) | GPBAR1CYP3A4 |
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-3067349-B1 | CARBOXYMETHYL PIPERIDINE DERIVATIVE | KISSEI PHARMACEUTICAL (JP) | 2018-02-28 | — | — | EP | disclosed |