Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.49 |
| ▸ | CA2 | P00918 | 8/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | CA7 | P43166 | 7/20 | 0.46 |
| ▸ | CA4 | P22748 | 6/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL6169232 | 0.88 | CHRNA7 (0.45) | CA1CA2CA9CA7CA4 | |
| SCHEMBL5203044 | 0.83 | CA2 (0.61) | CA1CA2CA9CA7CA4 | |
| SCHEMBL6171769 | 0.80 | CHRNA7 (0.53) | CA1CA2CA9CA7CA4 | |
| SCHEMBL6172783 | 0.78 | CHRNA7 (0.41) | CA1CA2CA9CA7CA4 | |
| SCHEMBL6174360 | 0.78 | CSNK1D (0.39) | CA1CA2CA9CA7CA4 | |
| SCHEMBL6172080 | 0.75 | CA9 (0.42) | CA1CA2CA9CA7CA4 | |
| SCHEMBL6172900 | 0.75 | CA9 (0.47) | CA1CA2CA9CA7CA4 | |
| SCHEMBL5203413 | 0.75 | NPC1 (0.53) | — | |
| SCHEMBL5203419 | 0.75 | NPC1 (0.53) | — | |
| SCHEMBL5202701 | 0.74 | CA1 (0.53) | CA1CA2CA9CA7CA4 |
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 |