Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6174360 | 0.90 | CSNK1D (0.39) | CHRNA7CA9PTGS2PTGS1CA1 | |
| SCHEMBL6161912 | 0.88 | CA1 (0.49) | CA9PTGS2PTGS1CA1CA2 | |
| SCHEMBL5203437 | 0.82 | PTGS2 (0.60) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL6171769 | 0.80 | CHRNA7 (0.53) | CHRNA7CA9PTGS2PTGS1CA1 | |
| SCHEMBL6172783 | 0.78 | CHRNA7 (0.41) | CHRNA7CA9PTGS2PTGS1CA1 | |
| SCHEMBL5206016 | 0.75 | LMNA (0.52) | — | |
| SCHEMBL5206138 | 0.75 | LMNA (0.52) | — | |
| SCHEMBL6172900 | 0.73 | CA9 (0.47) | CHRNA7CA9PTGS2CA1CA2 | |
| SCHEMBL5203693 | 0.71 | PTGS2 (0.47) | CHRNA7PTGS2PTGS1CA1CA2 | |
| SCHEMBL5203044 | 0.70 | CA2 (0.61) | CA9PTGS2CA1CA2CA4 |
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-1458706-A4 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ CORP (KR) | 2005-06-08 | — | — | EP | disclosed |
| EP-1458706-A1 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ Corp. (KR) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003055875-A1 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ CORP. (KR) | 2003-07-10 | — | — | WO | disclosed |