Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.54 |
| ▸ | STAT3 | P40763 | 2/20 | 0.54 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.54 |
| ▸ | PTGES | O14684 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | MET | P08581 | 2/20 | 0.49 |
| ▸ | APP | P05067 | 2/20 | 0.49 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.49 |
| ▸ | TTR | P02766 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30528017 | 0.94 | CYP1A2 (0.63) | EPHX2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30528012 | 0.92 | CYP1A2 (0.61) | EPHX2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7158939 | 0.89 | EPHX2 (0.69) | EPHX2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11217825 | 0.88 | CYP1A2 (0.53) | EPHX2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11217823 | 0.88 | CYP1A2 (0.53) | EPHX2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL25308319 | 0.86 | PKM (0.69) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL30528030 | 0.86 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL12491762 | 0.84 | ABCB1 (0.63) | EPHX2CYP1A2CYP2D6TUBB1TUBB4A | |
| SCHEMBL23823362 | 0.84 | EPHX2 (0.81) | EPHX2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30194571 | 0.84 | EPHX2 (0.81) | EPHX2CYP1A2CYP3A4CYP2D6CYP2C9 |
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-2023131362-A1 | PHENYLPROPANOID DERIVATIVES | USTAV EXPERIMENTALNI BOTANIKY AV ČR, V. V. I. (CZ) | 2023-07-13 | — | — | WO | disclosed |