Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 9/20 | 0.53 |
| ▸ | CA9 | Q16790 | 9/20 | 0.53 |
| ▸ | CA1 | P00915 | 8/20 | 0.53 |
| ▸ | CA2 | P00918 | 8/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8174283 | 0.92 | CA9 (0.51) | CA12CA9CA1CA2PTGS2 | |
| SCHEMBL8176221 | 0.92 | CA12 (0.53) | CA12CA9CA1CA2PTGS2 | |
| SCHEMBL8630923 | 0.91 | MAPK8 (0.54) | CA12CA9CA1CA2PTGS2 | |
| SCHEMBL7777766 | 0.89 | HTR7 (0.48) | CA12CA9CA1CA2PTGS2 | |
| SCHEMBL8175330 | 0.88 | CA1 (0.57) | CA12CA9CA1CA2PTGS2 | |
| SCHEMBL7780610 | 0.85 | MAPK9 (0.54) | CA12CA9CA1CA2PTGS2 | |
| SCHEMBL8181613 | 0.85 | PTGS2 (0.51) | CA12CA9CA1CA2PTGS2 | |
| SCHEMBL8174319 | 0.84 | CA1 (0.53) | CA12CA9CA1CA2PTGS2 | |
| SCHEMBL8173979 | 0.84 | CA1 (0.53) | CA12CA9CA1CA2PTGS2 | |
| SCHEMBL7780584 | 0.83 | PTGS2 (0.48) | CA12CA9CA1CA2PTGS2 |
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 |