Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.36 |
| ▸ | RELA | Q04206 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4971777 | 0.83 | PTGS2 (0.52) | ALDH1A1PTGS1MAPTGAAPTGS2 | |
| SCHEMBL4971668 | 0.83 | PTGS2 (0.44) | ALDH1A1TSHRPTGS1MAPTPTGS2 | |
| SCHEMBL4970453 | 0.82 | POLB (0.39) | ALDH1A1TSHRPTGS1MAPTRAB9A | |
| SCHEMBL4970658 | 0.81 | GRM5 (0.43) | ALDH1A1TSHRPTGS1MAPTGPBAR1 | |
| SCHEMBL4970667 | 0.78 | TDP1 (0.41) | ALDH1A1TSHRPTGS1MAPTPTGS2 | |
| SCHEMBL4975266 | 0.78 | PTGS1 (0.40) | ALDH1A1TSHRPTGS1MAPTGPBAR1 | |
| SCHEMBL2468922 | 0.76 | PTGS1 (0.47) | ALDH1A1TSHRPTGS1MAPTGPBAR1 | |
| SCHEMBL4973911 | 0.73 | PTGS2 (0.51) | ALDH1A1TSHRPTGS1MAPTNPC1 | |
| SCHEMBL2472200 | 0.71 | PTGS2 (0.59) | ALDH1A1PTGS1MAPTGAAPTGS2 | |
| SCHEMBL2468574 | 0.71 | PTGS1 (0.43) | ALDH1A1TSHRPTGS1MAPTGPBAR1 |
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 |