Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.38 |
| ▸ | HRH1 | P35367 | 9/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.37 |
| ▸ | AGTR2 | P50052 | 4/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL764297 | 0.93 | AGTR2 (0.39) | KCNH2HRH1CYP2D6CHRM1AGTR2 | |
| SCHEMBL763838 | 0.93 | HRH1 (0.40) | KCNH2HRH1CYP2D6CHRM1AGTR2 | |
| SCHEMBL16301221 | 0.92 | HRH1 (0.40) | KCNH2HRH1CYP2D6CHRM1AGTR2 | |
| SCHEMBL765309 | 0.91 | HRH1 (0.39) | KCNH2HRH1CYP2D6CHRM1AGTR2 | |
| SCHEMBL763793 | 0.90 | HRH1 (0.40) | KCNH2HRH1CYP2D6CHRM1AGTR2 | |
| SCHEMBL763924 | 0.90 | HRH1 (0.41) | KCNH2HRH1CYP2D6CHRM1AGTR2 | |
| SCHEMBL763858 | 0.90 | KCNH2 (0.42) | KCNH2HRH1CYP2D6CHRM1AGTR2 | |
| SCHEMBL16301236 | 0.89 | KCNH2 (0.47) | KCNH2HRH1CYP2D6CHRM1AGTR2 | |
| SCHEMBL16301222 | 0.89 | HRH1 (0.38) | KCNH2HRH1CYP2D6CHRM1AGTR2 | |
| SCHEMBL16301237 | 0.88 | HRH1 (0.40) | KCNH2HRH1CYP2D6CHRM1AGTR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |