Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13624620 | 0.91 | PTGS2 (0.43) | PTGS2PTGS1ESR2 | |
| SCHEMBL14025306 | 0.91 | ESR2 (0.43) | PTGS2ESR2 | |
| SCHEMBL4364681 | 0.91 | PTGS2 (0.47) | PTGS2PTGS1ESR2 | |
| SCHEMBL4364672 | 0.91 | PTGS2 (0.47) | PTGS2PTGS1ESR2 | |
| SCHEMBL13624616 | 0.91 | ESR2 (0.44) | PTGS2PTGS1ESR2 | |
| SCHEMBL14516376 | 0.84 | ESR2 (0.57) | PTGS2ESR2 | |
| SCHEMBL13624614 | 0.83 | ESR2 (0.44) | PTGS2PTGS1ESR2 | |
| SCHEMBL14516346 | 0.83 | ESR2 (0.56) | PTGS2ESR2 | |
| SCHEMBL14025307 | 0.82 | ESR2 (0.42) | PTGS2ESR2 | |
| SCHEMBL4365668 | 0.82 | ESR2 (0.46) | PTGS2PTGS1ESR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7622501-B2 | Nitric oxide releasing prodrugs of diaryl-2-(5H)-furanones as cyclooxygenase-2 inhibitors | MERCK FROSST CANADA & CO. (CA) | 2009-11-24 | — | — | US | disclosed |