Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 2/20 | 0.49 |
| ▸ | MPO | P05164 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | TPO | P07202 | 1/20 | 0.37 |
| ▸ | EPX | P11678 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28909936 | 0.81 | MMP2 (0.46) | MPOCYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL27629487 | 0.78 | PARP1 (0.43) | LTB4RMPOCYP2C9CYP3A4PARP1 | |
| SCHEMBL7458172 | 0.77 | PARP1 (0.45) | LTB4RMPOCYP2C9PARP1AR | |
| SCHEMBL22547317 | 0.77 | PARP1 (0.42) | LTB4RMPOCYP2C9CYP3A4CYP2C19 | |
| SCHEMBL4442119 | 0.77 | PARP1 (0.42) | LTB4RMPOCYP2C9PARP1AR | |
| SCHEMBL3664672 | 0.76 | TSHR (0.42) | MPOCYP3A4ALDH1A1TPOKDM4E | |
| SCHEMBL25906471 | 0.75 | TSHR (0.48) | ALDH1A1 | |
| SCHEMBL5775272 | 0.74 | PARP1 (0.44) | LTB4RMPOCYP2C9PARP1AR | |
| SCHEMBL5780286 | 0.74 | PARP1 (0.44) | LTB4RMPOCYP2C9CYP3A4CYP2C19 | |
| SCHEMBL21243713 | 0.74 | HPGD (0.44) | LTB4RMPOCYP2C9CYP3A4CYP2C19 |
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-2882718-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F.HOFFMANN-LA ROCHE AG (CH) | 2015-06-17 | — | — | EP | disclosed |
| WO-2014023258-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F.HOFFMANN-LA ROCHE AG (CH) | 2014-02-13 | — | — | WO | disclosed |