Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.78 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.50 |
| ▸ | MELK | Q14680 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7212097 | 0.88 | PTGS2 (1.00) | PTGS2ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL7215363 | 0.87 | PTGS2 (0.59) | PTGS2ALDH1A1MAPTPTGER1PTGS1 | |
| SCHEMBL7211887 | 0.86 | PTGS2 (0.74) | PTGS2ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL7215254 | 0.85 | PTGS2 (0.78) | PTGS2ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL6513769 | 0.85 | PTGS2 (0.78) | PTGS2ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL6517559 | 0.85 | PTGS2 (0.89) | PTGS2ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL5309102 | 0.85 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL3026333 | 0.85 | PTGS2 (0.78) | PTGS2ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL3035294 | 0.85 | PTGS2 (0.88) | PTGS2ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL3831175 | 0.85 | PTGS2 (1.00) | PTGS2ALDH1A1MAPTKDM4EHPGD |
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 |