Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.41 |
| ▸ | HPGD | P15428 | 9/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | CASP1 | P29466 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CASP7 | P55210 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1348756 | 0.91 | KDM4E (0.43) | KDM4EHPGDCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2824508 | 0.86 | TTR (0.42) | KDM4EHPGDCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2823119 | 0.85 | HPGD (0.43) | KDM4EHPGDCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2827022 | 0.85 | KDM4E (0.42) | KDM4EHPGDCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2824739 | 0.84 | KDM4E (0.41) | KDM4EHPGDCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1348422 | 0.82 | HPGD (0.43) | KDM4EHPGDCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1346931 | 0.79 | KDM4E (0.40) | KDM4EHPGDCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2827764 | 0.78 | PLAT (0.35) | KDM4EHPGDCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2828177 | 0.77 | HPGD (0.43) | KDM4EHPGDCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL5203998 | 0.77 | KDM4E (0.43) | KDM4EHPGDCYP2C9CYP2C19ALDH1A1 |
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-1863818-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006099972-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-09-28 | — | — | WO | disclosed |