Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4971912 | 0.92 | GABRG2 (0.41) | ALDH1A1POLBPTGS2PTGS1PIN1 | |
| SCHEMBL4972272 | 0.89 | PTGS2 (0.48) | ALDH1A1POLBPTGS2PTGS1ADORA1 | |
| SCHEMBL2472200 | 0.85 | PTGS2 (0.59) | ALDH1A1PTGS2PTGS1ADORA1MAPT | |
| SCHEMBL14562167 | 0.82 | PTGS2 (0.64) | ALDH1A1POLBPTGS2PTGS1ADORA1 | |
| SCHEMBL27544569 | 0.80 | GABRG2 (0.51) | PIN1ADORA1ADORA2AADORA2BGABRA5 | |
| SCHEMBL2470766 | 0.79 | ALOX5 (0.43) | ALDH1A1POLBPTGS2PTGS1MAPT | |
| SCHEMBL7141999 | 0.78 | IDO1 (0.51) | ALDH1A1PIN1ADORA1ADORA2AADORA2B | |
| SCHEMBL4972421 | 0.78 | MAPK14 (0.46) | ALDH1A1POLBPTGS2PTGS1KMT2A | |
| SCHEMBL4971777 | 0.77 | PTGS2 (0.52) | ALDH1A1POLBPTGS2PTGS1ADORA1 | |
| SCHEMBL4973911 | 0.76 | PTGS2 (0.51) | ALDH1A1POLBPTGS2PTGS1ADORA1 |
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-1968973-A2 | ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2008-09-17 | — | — | EP | claimed |
| WO-2007074078-A2 | ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-07-05 | — | — | WO | claimed |
| EP-1968973-A2 | ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007074078-A2 | ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-07-05 | — | — | WO | disclosed |