Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 1/20 | 0.31 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.31 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4971139 | 0.84 | PTGS2 (0.46) | PTGS2PTGS1KMT2AKCNH2MAPK14 | |
| SCHEMBL4971004 | 0.82 | PTGS2 (0.50) | PTGS2PTGS1KMT2A | |
| SCHEMBL3647450 | 0.82 | PTGS2 (0.41) | ESR1ESR2PTGS2FFAR4GABRA5 | |
| SCHEMBL3644142 | 0.81 | ESR1 (0.48) | ESR1ESR2PTGS2FFAR4PTGS1 | |
| SCHEMBL4974345 | 0.81 | FFAR2 (0.35) | PTGS2PTGS1MEN1KMT2AS1PR1 | |
| SCHEMBL3640153 | 0.79 | GABRA5 (0.50) | ESR1ESR2PTGS2PTGS1GABRA5 | |
| SCHEMBL3644437 | 0.79 | GABRA5 (0.46) | ESR1ESR2PTGS2GABRA5 | |
| SCHEMBL3647167 | 0.78 | ESR1 (0.49) | ESR1ESR2PTGS2FFAR4PTGS1 | |
| SCHEMBL4973332 | 0.77 | PTGS2 (0.44) | PTGS2PTGS1GABRA5KCNH2 | |
| SCHEMBL3645874 | 0.76 | GABRA5 (0.52) | ESR1ESR2PTGS2MEN1KMT2A |
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-2170873-A1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-04-07 | — | — | EP | claimed |
| WO-2009000662-A1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-31 | — | — | WO | claimed |
| EP-2170873-A1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-04-07 | — | — | EP | disclosed |
| WO-2009000662-A1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-31 | — | — | WO | disclosed |