Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.51 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.33 |
| ▸ | HK2 | P52789 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7573858 | 0.76 | PTGS2 (0.61) | PTGS2GSK3BPTGS1MAPTRAB9A | |
| SCHEMBL7568009 | 0.76 | PTGS2 (0.61) | PTGS2GSK3BPTGS1MAPTRAB9A | |
| SCHEMBL7565471 | 0.75 | PTGS2 (0.56) | PTGS2GSK3BPTGS1MAPT | |
| SCHEMBL6326340 | 0.75 | PTGS2 (0.59) | PTGS2GSK3BPTGS1MAPTRAB9A | |
| SCHEMBL7574702 | 0.74 | PTGS2 (0.41) | PTGS2GSK3BPTGS1NPC1MAPT | |
| SCHEMBL7573008 | 0.73 | PTGS2 (0.57) | PTGS2GSK3BPTGS1MAPTRAB9A | |
| SCHEMBL7566102 | 0.73 | PTGS2 (0.57) | PTGS2GSK3BPTGS1MAPTRAB9A | |
| SCHEMBL8609712 | 0.70 | PTGS2 (0.38) | PTGS2GSK3BPTGS1NPC1MAPT | |
| Bicarbonate SCHEMBL29125500 | 0.69 | PTGS2 (0.60) | PTGS2GSK3BNPC1MAPTRAB9A | |
| Bicarbonate SCHEMBL28112658 | 0.69 | PTGS2 (0.60) | PTGS2GSK3BNPC1MAPTRAB9A |
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-0889878-B1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2002-09-04 | — | — | EP | disclosed |
| EP-0889878-A1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1999-01-13 | — | — | EP | disclosed |
| US-5817700-A | ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1998-10-06 | — | — | US | disclosed |
| WO-1997036863-A1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-10-09 | — | — | WO | disclosed |