Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 13/20 | 0.58 |
| ▸ | CA1 | P00915 | 12/20 | 0.58 |
| ▸ | CA2 | P00918 | 12/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10080804 | 0.79 | KCNH2 (0.46) | CA9CA1CA2PTGS2PTGS1 | |
| SCHEMBL13239860 | 0.78 | CA1 (0.70) | CA9CA1CA2PTGS2PTGS1 | |
| SCHEMBL13352312 | 0.78 | CA1 (0.60) | CA9CA1CA2PTGS2PTGS1 | |
| SCHEMBL12462094 | 0.76 | NR3C2 (0.59) | CA9CA1CA2PTGS2PTGS1 | |
| SCHEMBL12285042 | 0.75 | PTGS2 (0.70) | CA9CA1CA2PTGS2 | |
| SCHEMBL5907376 | 0.74 | CA9 (0.61) | CA9PTGS2 | |
| SCHEMBL14732172 | 0.71 | CA9 (0.68) | CA9CA1CA2PTGS2 | |
| SCHEMBL27759445 | 0.70 | CA1 (0.67) | CA9CA1CA2PTGS2PTGS1 | |
| SCHEMBL6344401 | 0.70 | CA9 (1.00) | CA9CA1CA2PTGS2PTGS1 | |
| SCHEMBL9941289 | 0.70 | PTGS2 (1.00) | CA9CA1CA2PTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1626967-A1 | SUBSTITUTED PYRAZOLES | MERCK PATENT GmbH (DE) | 2006-02-22 | — | — | EP | disclosed |
| WO-2004089931-A1 | SUBSTITUTED PYRAZOLES | MERCK PATENT GMBH (DE) | 2004-10-21 | — | — | WO | disclosed |
| WO-2003031435-A1 | PYRAZOLE DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS | MERCK PATENT GMBH (DE) | 2003-04-17 | — | — | WO | disclosed |