Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 7/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2827022 | 0.89 | KDM4E (0.42) | KDM4EMEN1KMT2ALMNATHRB | |
| SCHEMBL1346931 | 0.87 | KDM4E (0.40) | KDM4EMEN1KMT2ALMNAMAPT | |
| SCHEMBL1348803 | 0.87 | TTR (0.37) | KDM4EMEN1KMT2ALMNATHRB | |
| SCHEMBL1347820 | 0.86 | KDM4E (0.41) | KDM4EMEN1KMT2ALMNATHRB | |
| SCHEMBL1348722 | 0.86 | KDM4E (0.40) | KDM4EMEN1KMT2ALMNATHRB | |
| SCHEMBL1348630 | 0.85 | KDM4E (0.37) | KDM4EMEN1KMT2ALMNATHRB | |
| SCHEMBL1939797 | 0.80 | THRB (0.51) | KDM4EMEN1KMT2ALMNATHRB | |
| SCHEMBL1939597 | 0.79 | THRB (0.39) | KDM4EMEN1KMT2ALMNATHRB | |
| SCHEMBL1380581 | 0.77 | THRB (0.48) | KDM4EMEN1KMT2ALMNATHRB | |
| SCHEMBL1348212 | 0.77 | KDM4E (0.40) | KDM4EMEN1KMT2ALMNAMAPT |
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 |