Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.59 |
| ▸ | NFE2L2 | Q16236 | 8/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11363584 | 1.00 | APP (0.59) | APPNFE2L2CYP1A2CYP2C19HSD11B1 | |
| SCHEMBL27717692 | 0.76 | APP (0.59) | APP | |
| SCHEMBL27411410 | 0.76 | APP (0.64) | APPPTGS1NQO2 | |
| SCHEMBL27717643 | 0.76 | RAB9A (0.47) | APPCYP2C19 | |
| Hydrochloric Acid SCHEMBL17200380 | 0.76 | NFE2L2 (0.48) | NFE2L2CYP2C19PTGS1ALOX5PTGS2 | |
| SCHEMBL6015209 | 0.76 | ALDH1A1 (0.52) | APPPTGS1TRPA1 | |
| SCHEMBL6015208 | 0.76 | ALDH1A1 (0.52) | APPPTGS1TRPA1 | |
| SCHEMBL11364849 | 0.76 | MAPT (0.61) | APPNFE2L2CYP1A2CYP2C19PTGS1 | |
| SCHEMBL11364848 | 0.76 | MAPT (0.61) | APPNFE2L2CYP1A2CYP2C19PTGS1 | |
| SCHEMBL13766470 | 0.76 | NFE2L2 (0.78) | APPNFE2L2HSD11B1PTGS1NQO2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995027714-A1 | ACTIVE COMPOUNDS | ASTRA AKTIEBOLAG (SE) | 1995-10-19 | — | — | WO | disclosed |
| EP-0102227-B1 | 2(1H)-PYRIDINONES, USEFUL AS CARDIOTONIC AGENTS, AND THEIR PRODUCTION | WARNER-LAMBERT COMPANY (US) | 1989-05-03 | — | — | EP | disclosed |
| US-4607037-A | Cardiotonic 2(1H)-pyridinones | WARNER-LAMBERT COMPANY (US) | 1986-08-19 | — | — | US | disclosed |
| US-4503061-A | Substituted phenyl-pyridinones as cardiotonic agents | WARNER-LAMBERT COMPANY (US) | 1985-03-05 | — | — | US | disclosed |
| EP-0102227-A2 | 2(1H)-pyridinones, useful as cardiotonic agents, and their production | WARNER-LAMBERT COMPANY (US) | 1984-03-07 | — | — | EP | disclosed |
| US-4264775-A | BY DIAZOTIZATION OF ANILINES, REACTING WITH A VINYL ESTER, AND REACTING WITH A SECONDARY AMINE | ELI LILLY AND COMPANY (US) | 1981-04-28 | — | — | US | disclosed |