Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CCNC | P24863 | 1/20 | 0.31 |
| ▸ | CDK8 | P49336 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | HPGDS | O60760 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7569141 | 0.86 | PTGS1 (0.37) | PTGS1PTGS2CHEK1ALDH1A1BACE1 | |
| SCHEMBL7568017 | 0.84 | PTGS1 (0.47) | PTGS1PTGS2CHEK1MAPTTP53 | |
| SCHEMBL7565538 | 0.83 | PTGS1 (0.33) | PTGS1PTGS2 | |
| SCHEMBL7565479 | 0.81 | PTGS2 (0.35) | PTGS1PTGS2MAPTTP53ALDH1A1 | |
| SCHEMBL7573867 | 0.75 | PTGS1 (0.47) | PTGS1PTGS2CHEK1HPGDSDAO | |
| SCHEMBL72613 | 0.72 | AR (0.43) | DAONPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL7566050 | 0.71 | ALDH2 (0.32) | CHEK1MAPTTP53HPGDSDAO | |
| SCHEMBL7566081 | 0.71 | PTGS1 (0.46) | PTGS1PTGS2CHEK1MAPTTP53 | |
| SCHEMBL5833325 | 0.70 | KMT2A (0.56) | PTGS1PTGS2ALDH1A1SMN1; SMN2 | |
| SCHEMBL6326340 | 0.66 | PTGS2 (0.59) | PTGS1PTGS2MAPTALDH1A1KDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0889878-B1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2002-09-04 | — | — | EP | claimed |
| WO-2000029022-A1 | COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS | ALGOS PHARMACEUTICAL CORPORATION (US) | 2000-05-25 | — | — | WO | claimed |
| US-5817700-A | ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1998-10-06 | — | — | US | claimed |
| US-20050100594-A1 | Pharmaceutical formulation containing muscle relaxant and COX-II inhibitor | GLENMARK PHARMACEUTICALS LIMITED (IN) | 2005-05-12 | — | — | US | disclosed |
| US-20050096371-A1 | Topical pharmaceutical compositions | GLENMARK PHARMACEUTICALS LIMITED (IN) | 2005-05-05 | — | — | US | disclosed |
| EP-0889878-B1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2002-09-04 | — | — | EP | disclosed |
| US-5817700-A | ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1998-10-06 | — | — | US | disclosed |