Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 11/20 | 0.41 |
| ▸ | HRH1 | P35367 | 10/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.40 |
| ▸ | ATM | Q13315 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL741991 | 1.00 | KCNH2 (0.41) | KCNH2HRH1CHRM1CYP2D6ATM | |
| SCHEMBL741134 | 0.93 | HRH1 (0.43) | KCNH2HRH1CHRM1CYP2D6 | |
| SCHEMBL741135 | 0.93 | HRH1 (0.43) | KCNH2HRH1CHRM1CYP2D6 | |
| SCHEMBL764483 | 0.93 | KCNH2 (0.42) | KCNH2HRH1CHRM1CYP2D6CYP3A4 | |
| SCHEMBL740303 | 0.92 | KCNH2 (0.41) | KCNH2HRH1CHRM1CYP2D6CYP3A4 | |
| SCHEMBL740302 | 0.92 | KCNH2 (0.41) | KCNH2HRH1CHRM1CYP2D6CYP3A4 | |
| SCHEMBL763510 | 0.90 | HRH1 (0.43) | KCNH2HRH1CHRM1CYP2D6CYP3A4 | |
| SCHEMBL739139 | 0.90 | KCNH2 (0.43) | KCNH2HRH1CHRM1CYP2D6CYP3A4 | |
| SCHEMBL739138 | 0.90 | KCNH2 (0.43) | KCNH2HRH1CHRM1CYP2D6CYP3A4 | |
| SCHEMBL741913 | 0.89 | KCNH2 (0.43) | KCNH2HRH1CHRM1CYP2D6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | claimed |
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |