Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.52 |
| ▸ | RARG | P13631 | 1/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.52 |
| ▸ | PPARA | Q07869 | 1/20 | 0.52 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.52 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CTSG | P08311 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6573220 | 1.00 | CYP2C9 (0.52) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8165462 | 0.90 | CYP2C9 (0.61) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5916361 | 0.87 | CYP2C9 (0.55) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8165385 | 0.87 | TSHR (0.59) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5916380 | 0.87 | TSHR (0.59) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7323233 | 0.86 | PPARG (0.60) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6572816 | 0.83 | CYP2C9 (0.51) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6572812 | 0.83 | CYP2C9 (0.51) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5916371 | 0.83 | CYP2C9 (0.57) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10382172 | 0.82 | CYP2C9 (0.54) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1474405-A2 | PROCESS FOR THE PREPARATION OF 4-HETERO-SUBSTITUTED PHENYLALANINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2004-11-10 | — | — | EP | disclosed |
| WO-2003068725-A2 | PROCESS FOR THE PREPARATION OF 4-HETERO-SUBSTITUTED PHENYLALANINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2003-08-21 | — | — | WO | disclosed |