Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 3/20 | 0.47 |
| ▸ | PSD | A5PKW4 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4658149 | 0.85 | NPY5R (0.45) | NPY5RKMT2AALKCYP2A6KIT | |
| SCHEMBL4659264 | 0.83 | KDM4E (0.53) | NPY5RPSDCYP19A1 | |
| SCHEMBL11841778 | 0.79 | NPY5R (0.47) | NPY5RPSDKMT2ACYP19A1ALK | |
| SCHEMBL4659001 | 0.77 | PSD (0.48) | NPY5RPSDCYP19A1PIM1 | |
| SCHEMBL4657924 | 0.76 | ALOX5 (0.43) | PSD | |
| SCHEMBL4657763 | 0.76 | MAPK1 (0.41) | — | |
| SCHEMBL15046260 | 0.75 | CYP2A6 (0.59) | KMT2ACYP19A1ALKCYP2A6 | |
| SCHEMBL9848052 | 0.74 | CYP19A1 (0.59) | NPY5RPSDKMT2ACYP19A1CYP2A6 | |
| SCHEMBL28402640 | 0.73 | NPY5R (0.51) | NPY5RKMT2ACYP19A1CYP2A6PDGFRB | |
| SCHEMBL19164672 | 0.73 | ALDH1A1 (0.56) | KMT2ACYP19A1CYP2A6MEN1 |
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 |