Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7221221 | 0.94 | PTGS2 (0.49) | PTGS2AKR1C3CES2CES1AKR1C2 | |
| SCHEMBL8562014 | 0.84 | EPHX2 (0.53) | PTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7084244 | 0.84 | EPHX2 (0.53) | PTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7220475 | 0.82 | AKR1C3 (0.51) | PTGS2AKR1C3ALDH1A1 | |
| SCHEMBL6510946 | 0.81 | SRC (0.50) | PTGS2AKR1C3AKR1C2AKR1C1ALDH1A1 | |
| SCHEMBL627867 | 0.80 | CES2 (0.64) | CES2CES1ALDH1A1 | |
| SCHEMBL28427675 | 0.79 | GSK3B (0.53) | PTGS2AKR1C3 | |
| SCHEMBL7481806 | 0.78 | ENPP2 (0.47) | PTGS2AKR1C3 | |
| SCHEMBL5525568 | 0.78 | CES2 (0.55) | AKR1C3CES2CES1ALDH1A1 | |
| SCHEMBL2976217 | 0.78 | LMNA (0.57) | CES2CES1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0802917-B1 | ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | MERCK FROSST CANADA INC (CA) | 2001-11-07 | — | — | EP | disclosed |
| EP-0802917-A1 | ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | MERCK FROSST CANADA INC. (CA) | 1997-10-29 | — | — | EP | disclosed |
| US-5552422-A | Aryl substituted 5,5 fused aromatic nitrogen compounds as anti-inflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1996-09-03 | — | — | US | disclosed |
| WO-1996021667-A1 | ARYL SUBSTITUTED 5,5 FUSED AROMATIC NITROGEN COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | MERCK FROSST CANADA INC. (CA) | 1996-07-18 | — | — | WO | disclosed |