Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19249068 | 0.80 | EGLN1 (0.40) | CYP2D6CYP2C19 | |
| SCHEMBL2240590 | 0.79 | CA3 (0.42) | CYP2D6CYP2C19CA3CA5ACA5B | |
| SCHEMBL4451693 | 0.76 | — | — | |
| SCHEMBL4047411 | 0.76 | CYP2D6 (0.45) | CYP2D6CYP2C19 | |
| SCHEMBL15078085 | 0.73 | — | — | |
| SCHEMBL31613206 | 0.73 | CYP2D6 (0.43) | CYP2D6CYP2C19 | |
| SCHEMBL10758995 | 0.72 | — | — | |
| SCHEMBL25352437 | 0.70 | ALDH1A1 (0.37) | CYP2D6CYP2C19CA3CA5ACA5B | |
| SCHEMBL4840321 | 0.70 | — | — | |
| Ethylene SCHEMBL8519352 | 0.70 | CYP2D6 (0.41) | CYP2D6CYP2C19 |
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 |