Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 12/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12330594 | 0.78 | PTGS2 (0.78) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL25261036 | 0.77 | PTGS2 (0.43) | NPSR1LMNAPTGS2PTGS1ABCC4 | |
| SCHEMBL25297041 | 0.75 | PTGS2 (0.40) | NPSR1LMNAPTGS2PTGS1ABCC4 | |
| SCHEMBL18136473 | 0.74 | DHODH (0.48) | LMNAPTGS2PTGS1L3MBTL1DHODH | |
| SCHEMBL28290263 | 0.73 | L3MBTL1 (0.47) | NPSR1LMNAPTGS2PTGS1L3MBTL1 | |
| SCHEMBL6816328 | 0.73 | PTGS2 (0.69) | NPSR1LMNAPTGS2PTGS1L3MBTL1 | |
| SCHEMBL5700053 | 0.73 | PTGS2 (0.59) | NPSR1LMNAPTGS2PTGS1L3MBTL1 | |
| SCHEMBL23277107 | 0.72 | JAK2 (0.51) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL29730261 | 0.72 | JAK2 (0.51) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL10178237 | 0.72 | PTGS2 (0.41) | LMNAPTGS2PTGS1L3MBTL1ABCC4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104788362-A | Preparation method of etoricoxib or pharmaceutically acceptable salts thereof | JINAN SANYUAN CHEMICAL CO LTD | 2015-07-22 | — | — | CN | disclosed |
| CN-104761489-A | Method for preparing etoricoxib and pharmaceutically acceptable salt thereof | JINAN SANYUAN CHEMICAL CO LTD | 2015-07-08 | — | — | CN | disclosed |