Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 10/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL8179845 | 0.89 | PTGS2 (0.55) | PTGS1PTGS2CA12CA9 | |
| SCHEMBL8179842 | 0.89 | PTGS2 (0.53) | PTGS1PTGS2CA12CA9 | |
| SCHEMBL7773091 | 0.88 | PTGS2 (0.46) | PTGS1PTGS2CA12CA9 | |
| SCHEMBL7777656 | 0.88 | PTGS2 (0.46) | PTGS1PTGS2CA12CA9 | |
| SCHEMBL7777967 | 0.84 | PTGS2 (0.52) | PTGS1PTGS2CA12CA9 | |
| SCHEMBL8975526 | 0.84 | PTGS1 (0.43) | PTGS1PTGS2CA12CA9 | |
| SCHEMBL8180056 | 0.84 | PTGS2 (0.45) | PTGS1PTGS2CA12CA9FAAH | |
| SCHEMBL8634798 | 0.82 | PTGS1 (0.42) | PTGS1PTGS2CA12CA9FAAH | |
| SCHEMBL7778046 | 0.82 | PTGS2 (0.52) | PTGS1PTGS2FAAHKCNH2 | |
| SCHEMBL7773163 | 0.81 | PTGS2 (0.58) | PTGS1PTGS2CA12CA9FAAH |
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 |
|---|---|---|---|---|---|---|---|
| US-6028072-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 2000-02-22 | — | — | US | disclosed |
| US-5486534-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 1996-01-23 | — | — | US | disclosed |