Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.39 |
| ▸ | HPGD | P15428 | 9/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | IKBKB | O14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL1347485 | 0.89 | HPGD (0.41) | KDM4EHPGDMAPTCYP2C9CYP2C19 | |
| SCHEMBL1348454 | 0.89 | HPGD (0.41) | KDM4EHPGDMAPTCYP2C9CYP2C19 | |
| SCHEMBL1348355 | 0.88 | HPGD (0.41) | KDM4EHPGDMAPTCYP2C9CYP2C19 | |
| SCHEMBL1349206 | 0.87 | HPGD (0.44) | KDM4EHPGDMAPTCYP2C9CYP2C19 | |
| SCHEMBL1349736 | 0.85 | HPGD (0.46) | KDM4EHPGDMAPTCYP2C9CYP2C19 | |
| SCHEMBL1348288 | 0.85 | HPGD (0.46) | KDM4EHPGDMAPTCYP2C9CYP2C19 | |
| SCHEMBL1348343 | 0.83 | HPGD (0.46) | KDM4EHPGDMAPTCYP2C9CYP2C19 | |
| SCHEMBL1347085 | 0.83 | HPGD (0.41) | KDM4EHPGDMAPTCYP2C9CYP2C19 | |
| SCHEMBL1383230 | 0.81 | KDM4E (0.42) | KDM4EHPGDMAPTCYP2C9CYP2C19 | |
| SCHEMBL1348311 | 0.81 | LMNA (0.40) | KDM4EHPGDMAPTCYP2C9CYP2C19 |
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 |