Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 2/20 | 0.31 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALPI | P09923 | 1/20 | 0.31 |
| ▸ | ALPG | P10696 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3261615 | 0.79 | CYP2C9 (0.38) | CYP2C9CYP2C19CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL2725056 | 0.76 | — | — | |
| SCHEMBL25690640 | 0.75 | DUT (0.36) | CYP2C9CYP2C19CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL17646502 | 0.72 | BTK (0.40) | CYP2C9CYP2C19CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL3261931 | 0.70 | ALDH1A1 (0.40) | CYP2C9CYP2C19CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL12744427 | 0.70 | CYP2C9 (0.33) | CYP2C9CYP2C19CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL21452755 | 0.69 | — | — | |
| SCHEMBL3261591 | 0.69 | — | — | |
| SCHEMBL3259500 | 0.68 | IKBKE (0.47) | CYP2C9CYP2C19CYP1A2L3MBTL1SMN1; SMN2 | |
| SCHEMBL7759319 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010015657-A2 | NEW ALKOXYPYRAZOLES | INSTITUT PASTEUR (FR) | 2010-02-11 | — | — | WO | disclosed |
| EP-2151433-A1 | Alkoxypyrazoles and the process for their preparation | Institut Pasteur (FR) | 2010-02-10 | — | — | EP | disclosed |