Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.78 |
| ▸ | CA2 | P00918 | 12/20 | 0.56 |
| ▸ | CA9 | Q16790 | 11/20 | 0.56 |
| ▸ | CA1 | P00915 | 11/20 | 0.56 |
| ▸ | CA12 | O43570 | 10/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | PDE7A | Q13946 | 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 | |
|---|---|---|---|---|
| SCHEMBL7209869 | 0.87 | PTGS2 (1.00) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL8505098 | 0.76 | PTGS2 (0.52) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL7215974 | 0.73 | PTGS2 (0.55) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL21225325 | 0.71 | MAPT (0.53) | PTGS2KDM4ELMNAHPGD | |
| SCHEMBL7210840 | 0.70 | PTGS2 (0.76) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL7216218 | 0.70 | PTGS2 (0.76) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL21225711 | 0.69 | MAPT (0.55) | PTGS2KDM4ELMNAHPGDNPSR1 | |
| SCHEMBL16054419 | 0.68 | CHRNA7 (0.50) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL7210689 | 0.68 | PTGS2 (0.77) | PTGS2CA2CA9CA1CA12 | |
| SCHEMBL5314020 | 0.68 | CHRNA7 (0.60) | PTGS2CA2CA9CA1CA12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1369415-A1 | Substituted pyrrolyl compounds for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2003-12-10 | — | — | EP | claimed |
| EP-0946507-B1 | SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2003-09-24 | — | — | EP | claimed |
| EP-0946507-A1 | SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1999-10-06 | — | — | EP | claimed |
| WO-1998025896-A1 | SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1998-06-18 | — | — | WO | claimed |
| EP-1369415-A1 | Substituted pyrrolyl compounds for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2003-12-10 | — | — | EP | disclosed |