Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 9/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | CASP1 | P29466 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1348312 | 0.92 | HPGD (0.44) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL1348709 | 0.87 | KDM4E (0.40) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL1348499 | 0.83 | HPGD (0.42) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL1349041 | 0.82 | HPGD (0.43) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL1347050 | 0.82 | KDM4E (0.47) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL1346433 | 0.82 | HPGD (0.43) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL1348031 | 0.80 | EPHX2 (0.49) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL1346333 | 0.79 | HPGD (0.45) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL1348863 | 0.79 | HPGD (0.48) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL1346830 | 0.79 | HPGD (0.45) | HPGDCYP2C9CYP2C19KDM4EALDH1A1 |
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-1863818-B1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-03-10 | — | — | EP | disclosed |