Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.40 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL5312975 | 0.88 | PTGS2 (0.46) | PTGS2KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL2465765 | 0.78 | CA12 (0.42) | PTGS2PTGS1 | |
| SCHEMBL7210762 | 0.77 | PTGS2 (0.53) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL7212097 | 0.76 | PTGS2 (1.00) | PTGS2KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL8954500 | 0.73 | PTGS2 (0.67) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL3831175 | 0.73 | PTGS2 (1.00) | PTGS2KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL7211888 | 0.72 | PTGS2 (0.59) | PTGS2KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL7216892 | 0.72 | PTGS2 (0.67) | PTGS2KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL8953833 | 0.72 | PTGS2 (0.55) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL6512933 | 0.71 | PTGS2 (0.69) | PTGS2KDM4EALDH1A1MAPTHPGD |
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 |