Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 12/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8776179 | 0.87 | PTGS2 (0.45) | CA2CA9CA12PTGS2PTGS1 | |
| SCHEMBL8051564 | 0.73 | PTGS2 (0.44) | CA2CA9CA12PTGS2PTGS1 | |
| SCHEMBL7779954 | 0.69 | LRRK2 (0.60) | CA2CA9CA12PTGS2PTGS1 | |
| SCHEMBL8092791 | 0.67 | PTGS2 (0.47) | CA2CA9CA12PTGS2PTGS1 | |
| SCHEMBL6726344 | 0.65 | PTGS2 (0.64) | CA2CA9CA12PTGS2PTGS1 | |
| SCHEMBL24968929 | 0.65 | ULK1 (0.37) | — | |
| SCHEMBL30851331 | 0.65 | ULK1 (0.37) | — | |
| SCHEMBL6726396 | 0.65 | PTGS2 (0.72) | CA2CA9CA12PTGS2PTGS1 | |
| SCHEMBL6725900 | 0.65 | CA12 (0.55) | CA2CA9CA12PTGS2PTGS1 | |
| SCHEMBL8654649 | 0.64 | PTGS2 (0.58) | PTGS2PTGS1KIF11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0808305-A1 | 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024585-A1 | 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-15 | — | — | WO | disclosed |