Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 3/20 | 0.47 |
| ▸ | RXRB | P28702 | 3/20 | 0.47 |
| ▸ | RXRG | P48443 | 3/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TACR2 | P21452 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL4592375 | 0.85 | ALDH1A1 (0.41) | RXRARXRBRXRGCYP1A2CYP2C9 | |
| SCHEMBL21617579 | 0.83 | ALDH1A1 (0.46) | HTR2AARALDH1A1PDE3AL3MBTL1 | |
| SCHEMBL24176771 | 0.81 | TUBB1 (0.40) | RXRARXRBRXRGSSTR5ALDH1A1 | |
| SCHEMBL11864849 | 0.81 | TACR2 (0.51) | CYP1A2CYP2C9CYP2C19ALDH1A1TACR2 | |
| SCHEMBL3574138 | 0.81 | ALDH1A1 (0.59) | RXRARXRBRXRGALDH1A1TACR2 | |
| SCHEMBL20615143 | 0.77 | CALM1 (0.58) | ALDH1A1LMNAL3MBTL1KDM4EMEN1 | |
| SCHEMBL4591571 | 0.77 | LMNA (0.48) | ALDH1A1TACR2LMNAL3MBTL1MEN1 | |
| SCHEMBL2559726 | 0.77 | ALDH1A1 (0.63) | ARALDH1A1LMNAL3MBTL1KDM4E | |
| SCHEMBL1812946 | 0.77 | KDM1A (0.45) | ALDH1A1TACR2L3MBTL1KDM4EMAPK1 | |
| SCHEMBL17707963 | 0.76 | AR (0.53) | RXRARXRBRXRGHTR2AKCNK3 |
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 8 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 |
| EP-1863818-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| EP-1851225-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2007-11-07 | — | — | 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-2006099972-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-09-28 | — | — | WO | disclosed |
| WO-2006084634-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-17 | — | — | WO | disclosed |
| WO-2005123738-A1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2005-12-29 | — | — | WO | disclosed |