Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8101829 | 0.91 | PTGS2 (0.52) | PTGS2PTGS1 | |
| SCHEMBL8093987 | 0.85 | PTGS2 (0.48) | PTGS2PTGS1CA1CA2CA12 | |
| SCHEMBL8094187 | 0.84 | CNR1 (0.50) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL8086615 | 0.84 | PTGS2 (0.49) | PTGS2PTGS1CA1CA2CA12 | |
| SCHEMBL8094849 | 0.83 | HPGD (0.48) | PTGS2PTGS1CA1CA2CA12 | |
| SCHEMBL8085724 | 0.83 | PTGS2 (0.51) | PTGS2PTGS1CA1CA2CA12 | |
| SCHEMBL8086911 | 0.82 | HPGD (0.45) | PTGS2PTGS1CA1CA2CA12 | |
| SCHEMBL8093864 | 0.82 | CA9 (0.44) | PTGS2PTGS1CA1CA2CA12 | |
| SCHEMBL8099660 | 0.81 | MAPT (0.49) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8419642 | 0.80 | ACLY (0.40) | PTGS2SMN1; SMN2LMNAMAPTNPSR1 |
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-0808304-B1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-12-27 | — | — | EP | disclosed |
| EP-0808304-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024584-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-15 | — | — | WO | disclosed |