Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL5315712 | 0.88 | PTGS2 (0.52) | PTGS2PTGS1KCNH2ALOX5CYP2C9 | |
| SCHEMBL7216716 | 0.77 | PTGS2 (0.60) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL7210860 | 0.76 | PTGS2 (0.53) | PTGS2PTGS1ALOX5 | |
| SCHEMBL5312538 | 0.76 | PTGS2 (0.76) | PTGS2PTGS1ALOX5CYP2C9 | |
| SCHEMBL5311655 | 0.76 | PTGS2 (0.76) | PTGS2PTGS1ALOX5CYP2C9 | |
| SCHEMBL5965033 | 0.73 | PTGS2 (0.67) | PTGS2PTGS1ALOX5CYP2C9 | |
| SCHEMBL5312009 | 0.73 | PTGS2 (0.76) | PTGS2PTGS1ALOX5 | |
| SCHEMBL7216668 | 0.73 | PTGS2 (0.59) | PTGS2PTGS1KCNH2ALOX5CYP2C9 | |
| SCHEMBL7216658 | 0.73 | PTGS2 (0.52) | PTGS2PTGS1KCNH2ALOX5CYP2C9 | |
| SCHEMBL348164 | 0.72 | CA2 (0.44) | PTGS2PTGS1KCNH2ALOX5CYP2C9 |
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 |