Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8177361 | 0.91 | CA9 (0.52) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8175773 | 0.91 | MAPK8 (0.44) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL7777319 | 0.89 | PTGS2 (0.47) | PTGS2CA12CA9PTGS1 | |
| SCHEMBL8181707 | 0.87 | PTGS2 (0.51) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8179902 | 0.84 | PTGS2 (0.46) | PTGS2PTGS1 | |
| SCHEMBL8175792 | 0.84 | PTGS2 (0.53) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL7779610 | 0.84 | PTGS2 (0.50) | PTGS2PTGS1 | |
| SCHEMBL8176088 | 0.83 | PTGS2 (0.56) | PTGS2PTGS1MAPK8 | |
| SCHEMBL7780607 | 0.82 | PTGS2 (0.52) | PTGS2PTGS1 | |
| SCHEMBL8173979 | 0.82 | CA1 (0.53) | PTGS2CA12CA1CA2CA9 |
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 3 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-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |
| US-5486534-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 1996-01-23 | — | — | US | disclosed |