Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | BLM | P54132 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.52 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.52 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | GGT1 | P19440 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14655863 | 0.98 | PTGS2 (0.50) | PTGS2KDM4EHSD17B10ALDH1A1BLM | |
| SCHEMBL14655825 | 0.98 | PTGS2 (0.50) | PTGS2KDM4EHSD17B10ALDH1A1BLM | |
| SCHEMBL9035196 | 0.86 | ADRA2A (0.40) | PTGS2KDM4EHSD17B10ALDH1A1BLM | |
| SCHEMBL29753992 | 0.85 | PTGS2 (0.52) | PTGS2KDM4EHSD17B10ALDH1A1BLM | |
| SCHEMBL3018679 | 0.85 | PTGS2 (0.52) | PTGS2KDM4EHSD17B10ALDH1A1BLM | |
| SCHEMBL11199429 | 0.83 | BCAT2 (0.40) | LMNACYP1A2CYP2C9BCAT2KMT2A | |
| SCHEMBL11043927 | 0.83 | PTGS2 (0.50) | PTGS2KDM4EHSD17B10ALDH1A1BLM | |
| SCHEMBL8380237 | 0.83 | PTGS2 (0.50) | PTGS2KDM4EHSD17B10ALDH1A1BLM | |
| SCHEMBL8380233 | 0.83 | PTGS2 (0.50) | PTGS2KDM4EHSD17B10ALDH1A1BLM | |
| SCHEMBL7257591 | 0.83 | PTGS2 (0.50) | PTGS2KDM4EHSD17B10ALDH1A1BLM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2551265-B2 | Novel process for the preparation of 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, an intermediate of etoricoxib. | F I S - FABBRICA ITALIANA SINTETICI S P A (IT) | 2017-09-13 | — | — | EP | disclosed |
| EP-2551265-B1 | Novel process for the preparation of 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, an intermediate of etoricoxib. | ITALIANA SINT SPA (IT) | 2015-01-07 | — | — | EP | disclosed |
| EP-2551265-A1 | Novel process for the preparation of 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, an intermediate of etoricoxib. | F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) | 2013-01-30 | — | — | EP | disclosed |
| EP-0958275-A4 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | UNIV VANDERBILT (US) | 2004-12-01 | — | — | EP | disclosed |
| EP-0958275-A1 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | VANDERBILT UNIVERSITY (US) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998029382-A1 | SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 | VANDERBILT UNIVERSITY (US) | 1998-07-09 | — | — | WO | disclosed |