Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 4/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.41 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 3/20 | 0.39 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | SCD | O00767 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4657949 | 0.90 | PSD (0.46) | NR1H2NR1H3PSDRXRACAMKK2 | |
| SCHEMBL17280207 | 0.76 | GRK6 (0.46) | CAMKK2CTSSCTSKSCDATR | |
| SCHEMBL3559834 | 0.76 | PTGES2 (0.47) | PTGES2 | |
| SCHEMBL3564856 | 0.75 | NR1H2 (0.40) | NR1H2NR1H3PSDLMNANPSR1 | |
| SCHEMBL4658269 | 0.74 | KMO (0.40) | KMO | |
| SCHEMBL4659206 | 0.74 | KMO (0.40) | LMNAMEN1ALDH1A1KMT2AKMO | |
| SCHEMBL4659067 | 0.74 | SDHB (0.47) | NR1H2NR1H3LMNANPSR1RXRA | |
| SCHEMBL3565640 | 0.72 | LRRK2 (0.42) | PTGES2KMO | |
| SCHEMBL3564383 | 0.72 | PTGES2 (0.46) | LMNAMEN1ALDH1A1KMT2APTGES2 | |
| SCHEMBL26464210 | 0.71 | PBRM1 (0.44) | KMO |
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 2 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 |