Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.38 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | MGAM | O43451 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | SI | P14410 | 2/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4973843 | 0.89 | GPBAR1 (0.39) | PTGS1PTGS2BRD4MAPK14 | |
| SCHEMBL4970748 | 0.89 | CACNA1F (0.35) | CACNA1FABCB1CACNA1DCACNA1SCACNA1C | |
| SCHEMBL4971139 | 0.88 | PTGS2 (0.46) | PTGS1PTGS2GAATDP1ALDH1A1 | |
| SCHEMBL4973332 | 0.83 | PTGS2 (0.44) | PTGS1PTGS2TDP1L3MBTL1KCNH2 | |
| SCHEMBL4975266 | 0.80 | PTGS1 (0.40) | PTGS1PTGS2TDP1ALDH1A1MAPT | |
| SCHEMBL4971004 | 0.76 | PTGS2 (0.50) | PTGS1PTGS2MAPTKMT2ANPSR1 | |
| SCHEMBL2472200 | 0.75 | PTGS2 (0.59) | PTGS1PTGS2GAATDP1ALDH1A1 | |
| SCHEMBL3640427 | 0.73 | ESR1 (0.46) | PTGS1PTGS2KMT2ARAB9AMAPK14 | |
| SCHEMBL4971798 | 0.73 | ALDH1A1 (0.52) | CACNA1FABCB1CACNA1DCACNA1SCACNA1C | |
| SCHEMBL4974345 | 0.73 | FFAR2 (0.35) | PTGS1PTGS2KMT2ACYP3A4MEN1 |
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 |