Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 14/20 | 0.57 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD5 | P21918 | 2/20 | 0.41 |
| ▸ | HRH2 | P25021 | 2/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5026297 | 0.95 | KCNH2 (0.60) | KCNH2CACNA1FDRD4DRD5HRH2 | |
| SCHEMBL5023972 | 0.86 | KCNH2 (0.77) | KCNH2 | |
| SCHEMBL5076819 | 0.81 | KCNH2 (0.77) | KCNH2CACNA1FDRD4DRD5HRH2 | |
| SCHEMBL5026271 | 0.78 | KCNH2 (0.75) | KCNH2SLC6A3 | |
| SCHEMBL5026247 | 0.75 | KCNH2 (0.59) | KCNH2 | |
| SCHEMBL5023632 | 0.73 | SLC6A3 (0.48) | KCNH2CACNA1FDRD4DRD5HRH2 | |
| SCHEMBL5024663 | 0.73 | KCNH2 (0.61) | KCNH2CACNA1FDRD4DRD5HRH2 | |
| SCHEMBL5024633 | 0.73 | KCNH2 (0.79) | KCNH2 | |
| SCHEMBL5076795 | 0.72 | KCNH2 (1.00) | KCNH2CACNA1FDRD4DRD5HRH2 | |
| SCHEMBL5027752 | 0.72 | KCNH2 (0.64) | KCNH2CACNA1C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004089922-A2 | CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE | NEUROMED TECHNOLOGIES, INC. (CA) | 2004-10-21 | — | — | WO | disclosed |