Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 6/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4480186 | 0.82 | TDP1 (0.42) | CA1MAPTMEN1KMT2APIK3CA | |
| SCHEMBL13754675 | 0.80 | PKM (0.43) | PTGS2ALDH1A1GAAMAPT | |
| SCHEMBL3396956 | 0.78 | SLC2A1 (0.39) | MAOBALDH1A1HPGDGAAKDM4E | |
| SCHEMBL3393501 | 0.74 | PTGS2 (0.38) | PTGS1PTGS2 | |
| SCHEMBL4477798 | 0.74 | PTGER4 (0.42) | PTGS2MAOBCA12CA9 | |
| SCHEMBL4481069 | 0.73 | TP53 (0.36) | PTGS1PTGS2GAAKDM4EMAPT | |
| SCHEMBL13754677 | 0.70 | PTGS2 (0.44) | PTGS2ALDH1A1HPGDMAPT | |
| SCHEMBL4485980 | 0.70 | BRD4 (0.40) | PTGS2ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL3397533 | 0.70 | SLC2A1 (0.42) | MAOBALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4485765 | 0.69 | MAPT (0.37) | PTGS2ALDH1A1GAAKDM4EMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2246329-A1 | 4(1H)-pyridinone derivatives and their use as antimalaria agents | Glaxo Group Limited (GB) | 2010-11-03 | — | — | EP | disclosed |
| EP-2246329-A1 | 4(1H)-pyridinone derivatives and their use as antimalaria agents | Glaxo Group Limited (GB) | 2010-11-03 | — | — | EP | disclosed |
| WO-2010081904-A1 | 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS | GLAXO GROUP LIMITED (GB) | 2010-07-22 | — | — | WO | disclosed |