Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.47 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8654013 | 0.92 | PTGS2 (0.62) | PTGS2PTGS1ALDH1A3MEN1KMT2A | |
| SCHEMBL403028 | 0.84 | PTGS2 (0.63) | PTGS2PTGS1ALDH1A3MEN1KMT2A | |
| SCHEMBL17283465 | 0.84 | PTGS2 (0.63) | PTGS2PTGS1ALDH1A3MEN1KMT2A | |
| Hydrogen Sulfide SCHEMBL19086306 | 0.81 | PTGS2 (0.61) | PTGS2PTGS1ALDH1A3MEN1KMT2A | |
| SCHEMBL7212942 | 0.78 | ALDH1A1 (0.53) | PTGS2PTGS1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL6247727 | 0.77 | PTGS2 (0.57) | PTGS2PTGS1ALDH1A3MEN1KMT2A | |
| SCHEMBL7567940 | 0.76 | PTGS2 (0.59) | PTGS2PTGS1ALDH1A3MEN1KMT2A | |
| SCHEMBL7566068 | 0.76 | PTGS2 (0.60) | PTGS2PTGS1KMT2AGSK3BCFTR | |
| Bicarbonate SCHEMBL29125500 | 0.76 | PTGS2 (0.60) | PTGS2ALDH1A3MEN1KMT2ARAB9A | |
| Bicarbonate SCHEMBL28112658 | 0.76 | PTGS2 (0.60) | PTGS2ALDH1A3MEN1KMT2ARAB9A |
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 |