Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.59 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7566068 | 0.80 | PTGS2 (0.60) | PTGS2PTGS1GSK3BKMT2ACFTR | |
| SCHEMBL7567894 | 0.76 | PTGS2 (0.53) | PTGS2PTGS1GSK3BALDH1A3MEN1 | |
| SCHEMBL7566421 | 0.74 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL17283465 | 0.73 | PTGS2 (0.63) | PTGS2PTGS1GSK3BALDH1A3MEN1 | |
| SCHEMBL403028 | 0.73 | PTGS2 (0.63) | PTGS2PTGS1GSK3BALDH1A3MEN1 | |
| SCHEMBL8654013 | 0.73 | PTGS2 (0.62) | PTGS2PTGS1GSK3BALDH1A3MEN1 | |
| SCHEMBL5751033 | 0.72 | KMT2A (0.71) | PTGS2PTGS1KMT2A | |
| Hydrogen Sulfide SCHEMBL19086306 | 0.71 | PTGS2 (0.61) | PTGS2PTGS1GSK3BALDH1A3MEN1 | |
| SCHEMBL22477431 | 0.69 | PTGS1 (0.50) | PTGS2PTGS1ESR1ESR2KMT2A | |
| SCHEMBL6993410 | 0.69 | PTGS2 (0.56) | PTGS2PTGS1GSK3BKMT2ANPC1 |
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-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 |