Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TOP1 | P11387 | 9/20 | 0.36 |
| ▸ | GSK3B | P49841 | 4/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.33 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7462916 | 0.91 | KCNH2 (0.34) | KCNH2CYP3A4TOP1CACNA1FPOLB | |
| SCHEMBL7463545 | 0.90 | KCNH2 (0.48) | KCNH2CYP3A4TOP1GSK3BCACNA1F | |
| SCHEMBL7468912 | 0.90 | KCNH2 (0.48) | KCNH2CYP3A4TOP1GSK3BCACNA1F | |
| SCHEMBL15062970 | 0.89 | CYP3A4 (0.35) | KCNH2CYP3A4TOP1GSK3BCACNA1F | |
| SCHEMBL15063054 | 0.82 | KCNH2 (0.42) | KCNH2GSK3BCACNA1FPOLBMAPK1 | |
| SCHEMBL15063038 | 0.80 | CACNA1F (0.36) | KCNH2CYP3A4GSK3BCACNA1FPOLB | |
| SCHEMBL7467420 | 0.79 | KCNH2 (0.46) | KCNH2CYP3A4GSK3BCACNA1FPOLB | |
| Hydrochloric Acid SCHEMBL7468673 | 0.79 | KCNH2 (0.45) | KCNH2CYP3A4GSK3BCACNA1FPOLB | |
| SCHEMBL7461815 | 0.79 | KCNH2 (0.43) | KCNH2CYP3A4TOP1POLB | |
| SCHEMBL500422 | 0.78 | KCNH2 (0.46) | KCNH2CYP3A4GSK3BCACNA1FPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900793-B1 | CYCLOALKYLAMINOMETHYLPYRROLIDINE DERIVATIVES | DAIICHI SEIYAKU CO (JP) | 2002-07-24 | — | — | EP | claimed |