Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.41 |
| ▸ | HPGD | P15428 | 8/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | CASP1 | P29466 | 4/20 | 0.37 |
| ▸ | CASP7 | P55210 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1346931 | 0.92 | KDM4E (0.40) | KDM4EHPGDALDH1A1CYP3A4GAA | |
| SCHEMBL1348803 | 0.89 | TTR (0.37) | KDM4EHPGDALDH1A1CYP3A4GAA | |
| SCHEMBL1348630 | 0.88 | KDM4E (0.37) | KDM4EHPGDALDH1A1CYP3A4GAA | |
| SCHEMBL2823119 | 0.87 | HPGD (0.43) | KDM4EHPGDALDH1A1CYP3A4GAA | |
| SCHEMBL1348620 | 0.86 | KDM4E (0.38) | KDM4EHPGDALDH1A1CYP3A4GAA | |
| SCHEMBL1349198 | 0.85 | HPGD (0.43) | KDM4EHPGDALDH1A1CYP3A4GAA | |
| SCHEMBL1348851 | 0.85 | HPGD (0.45) | KDM4EHPGDALDH1A1CYP3A4GAA | |
| SCHEMBL1348212 | 0.82 | KDM4E (0.40) | KDM4EHPGDALDH1A1CYP3A4GAA | |
| SCHEMBL1348820 | 0.82 | LMNA (0.40) | KDM4EHPGDALDH1A1CYP3A4GAA | |
| SCHEMBL1346870 | 0.82 | PLAT (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4801724-B2 | — | — | 2011-10-26 | — | — | JP | claimed |
| EP-1863818-B1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-03-10 | — | — | EP | claimed |
| US-8063048-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |