Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.69 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5314094 | 1.00 | PTGS2 (0.69) | PTGS2PTGS1ALDH1A1CA12CA2 | |
| SCHEMBL7210852 | 0.88 | PTGS2 (0.71) | PTGS2PTGS1 | |
| SCHEMBL7210760 | 0.88 | PTGS2 (0.71) | PTGS2PTGS1 | |
| SCHEMBL5315090 | 0.85 | PTGS2 (0.74) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL5308822 | 0.85 | PTGS2 (0.74) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL7212148 | 0.83 | PTGS2 (0.76) | PTGS2PTGS1ALDH1A1CA12CA2 | |
| SCHEMBL7210655 | 0.83 | PTGS2 (0.76) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL7211950 | 0.82 | PTGS2 (0.74) | PTGS2PTGS1ALDH1A1CA12CA2 | |
| SCHEMBL2463751 | 0.82 | PTGS2 (1.00) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL5311727 | 0.82 | PTGS2 (0.74) | PTGS2PTGS1CA12CA2CA9 |
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-1369415-A1 | Substituted pyrrolyl compounds for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2003-12-10 | — | — | EP | disclosed |
| EP-0946507-A1 | SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998025896-A1 | SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1998-06-18 | — | — | WO | disclosed |