Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.81 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7210593 | 0.89 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL7216763 | 0.83 | CHRNA7 (0.62) | PTGS2CHRNA7PTGS1 | |
| SCHEMBL7216536 | 0.82 | PTGS2 (0.81) | PTGS2CHRNA7PTGS1 | |
| SCHEMBL7216230 | 0.81 | PTGS2 (0.79) | PTGS2CHRNA7PTGS1CYP2D6 | |
| SCHEMBL7216281 | 0.80 | PTGS2 (0.82) | PTGS2CHRNA7CYP2D6 | |
| SCHEMBL7210628 | 0.79 | CHRNA7 (0.62) | PTGS2CHRNA7PTGS1 | |
| SCHEMBL7216202 | 0.76 | PTGS2 (0.59) | PTGS2CHRNA7PTGS1 | |
| SCHEMBL5311168 | 0.76 | CHRNA7 (0.58) | PTGS2CHRNA7PTGS1CYP2D6 | |
| SCHEMBL7210689 | 0.75 | PTGS2 (0.77) | PTGS2CHRNA7PTGS1 | |
| SCHEMBL3021555 | 0.75 | PTGS2 (0.77) | PTGS2CHRNA7PTGS1 |
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-1369415-A1 | Substituted pyrrolyl compounds for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2003-12-10 | — | — | EP | disclosed |
| US-5935990-A | PYRROLYL DERIVATIVES HAVING AT POSITION 1 OR 5 A PHENYL SUBSTITUTED WITH METHYLSULFONYL OR AMINOSULFONYL; INHIBIT CYCLOOXYGENASE-2 FOR USE TREATMENT OF INFLAMMATION, AS AN ANALGESIC, OR AS AN ANTIPYRETIC | G.D. SEARLE & CO. (US) | 1999-08-10 | — | — | US | disclosed |