Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 5/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.56 |
| ▸ | PYCR1 | P32322 | 6/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3393091 | 0.85 | PYCR1 (0.67) | SLC6A4PYCR1MAOBMAOAALDH1A1 | |
| SCHEMBL5667997 | 0.79 | SLC6A4 (0.58) | SLC6A4SLC6A3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8508484 | 0.78 | SLC6A4 (0.57) | SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL3393368 | 0.77 | PYCR1 (0.59) | SLC6A4SLC6A3PYCR1MAOBACHE | |
| SCHEMBL3394463 | 0.75 | PYCR1 (0.47) | SLC6A4SLC6A3PYCR1MAOBMAOA | |
| SCHEMBL1176965 | 0.74 | MAOA (0.67) | PYCR1MAOBMAOAACHEALDH1A1 | |
| Hydrochloric Acid SCHEMBL28077090 | 0.73 | LMNA (0.68) | PYCR1MAOBMAOAACHEALDH1A1 | |
| SCHEMBL13074386 | 0.72 | SLC6A4 (0.57) | SLC6A4SLC6A3PYCR1ACHEALDH1A1 | |
| SCHEMBL3215494 | 0.72 | ALDH1A1 (0.44) | SLC6A4ACHEALDH1A1 | |
| SCHEMBL1971365 | 0.72 | SLC6A4 (0.54) | SLC6A4SLC6A3ALDH1A1 |
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-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 |