Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PSD | A5PKW4 | 6/20 | 0.40 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4659271 | 0.91 | RAD51 (0.40) | KDM4ETP53GAAMAPTNPSR1 | |
| SCHEMBL4657928 | 0.82 | ALOX5 (0.47) | ALOX5KDM4EALDH1A1PSDHPGD | |
| SCHEMBL29473437 | 0.81 | KDM4E (0.57) | ALOX5KDM4EALDH1A1HSD17B10PSD | |
| SCHEMBL4657739 | 0.81 | KDM4E (0.53) | ALOX5KDM4EALDH1A1HSD17B10PSD | |
| SCHEMBL3559622 | 0.80 | KDM4E (0.50) | ALOX5KDM4EALDH1A1HSD17B10PSD | |
| SCHEMBL4659001 | 0.77 | PSD (0.48) | KDM4EALDH1A1PSDNPSR1 | |
| SCHEMBL3565117 | 0.74 | KDM4E (0.50) | ALOX5KDM4EALDH1A1HSD17B10PSD | |
| SCHEMBL4657991 | 0.74 | KDM4E (0.40) | KDM4EALDH1A1HSD17B10TP53GAA | |
| SCHEMBL4660284 | 0.74 | ATM (0.36) | KDM4EGAAMAPTNPSR1 | |
| SCHEMBL3562751 | 0.74 | KDM4E (0.53) | ALOX5KDM4EALDH1A1HSD17B10PSD |
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 | disclosed |
| WO-2007110337-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | disclosed |