Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 5/20 | 0.36 |
| ▸ | RXRB | P28702 | 4/20 | 0.36 |
| ▸ | RXRG | P48443 | 4/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12891041 | 0.87 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTMEN1USP2 | |
| SCHEMBL4592763 | 0.85 | RXRA (0.47) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL12891047 | 0.84 | ALDH1A1 (0.39) | ALDH1A1KDM4EMAPTMEN1USP2 | |
| SCHEMBL12891043 | 0.81 | ALDH1A1 (0.37) | ALDH1A1KDM4EMAPTMEN1USP2 | |
| SCHEMBL21617579 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MAPTMEN1KMT2AL3MBTL1 | |
| SCHEMBL8040510 | 0.78 | RXRA (0.46) | KMT2ARXRARXRBRXRGAPP | |
| SCHEMBL24176771 | 0.76 | TUBB1 (0.40) | ALDH1A1MAPTRXRARXRBRXRG | |
| SCHEMBL6858263 | 0.76 | RXRA (0.47) | RXRARXRBRXRGKIF11 | |
| SCHEMBL22265142 | 0.75 | ALDH1A1 (0.41) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL1295898 | 0.73 | ALDH1A1 (0.45) | ALDH1A1HSD17B10RXRARXRBRXRG |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1934214-A1 | OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007039439-A1 | OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-04-12 | — | — | WO | disclosed |
| EP-1761541-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | disclosed |
| WO-2005123738-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-12-29 | — | — | WO | disclosed |