Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.40 |
| ▸ | GSR | P00390 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL23366325 | 0.80 | PTGS2 (0.47) | PTGS2GABRA5HSP90AA1MEN1LMNA | |
| SCHEMBL11848234 | 0.80 | PTGS2 (0.39) | PTGS2GABRA5GSRHSP90AA1MEN1 | |
| SCHEMBL28139688 | 0.77 | NOTUM (0.44) | PTGS2GABRA5HSP90AA1MEN1LMNA | |
| SCHEMBL8306253 | 0.77 | GABRA5 (0.42) | PTGS2GABRA5HSP90AA1MEN1LMNA | |
| SCHEMBL2929388 | 0.77 | NOTUM (0.49) | PTGS2GABRA5HSP90AA1MEN1LMNA | |
| SCHEMBL3213310 | 0.77 | PTGS2 (0.41) | PTGS2GABRA5GSRHSP90AA1MEN1 | |
| SCHEMBL27819710 | 0.76 | KDM4E (0.49) | PTGS2GABRA5HSP90AA1LMNAHTT | |
| SCHEMBL5775916 | 0.74 | NOTUM (0.46) | PTGS2GABRA5HSP90AA1MEN1LMNA | |
| SCHEMBL5772931 | 0.74 | PTGS2 (0.42) | PTGS2GABRA5GSRHSP90AA1MEN1 | |
| SCHEMBL5313574 | 0.73 | PTGS2 (0.45) | PTGS2GSRHSP90AA1MEN1LMNA |
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-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 |