Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | PSD | A5PKW4 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4657939 | 0.90 | S1PR1 (0.46) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL4659286 | 0.88 | KDM4E (0.51) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL4659001 | 0.83 | PSD (0.48) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL4659093 | 0.83 | NPY5R (0.47) | PSDCYP19A1NPY5R | |
| SCHEMBL3564289 | 0.82 | KDM4E (0.58) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL3562838 | 0.81 | KDM4E (0.55) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL4658149 | 0.78 | NPY5R (0.45) | LMNASMN1; SMN2NPSR1MAPTNPY5R | |
| SCHEMBL4657739 | 0.78 | KDM4E (0.53) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL4659010 | 0.78 | KDM4E (0.53) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL3564264 | 0.77 | S1PR1 (0.54) | KDM4EALDH1A1LMNAHTTSMN1; SMN2 |
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-2001849-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | claimed |
| WO-2007110337-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | claimed |
| EP-2001849-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110337-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | disclosed |