Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.43 |
| ▸ | HRH1 | P35367 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL765203 | 0.89 | ITGB3 (0.42) | KCNH2HRH1CYP2D6CHRM1MAPT | |
| SCHEMBL16301247 | 0.87 | KCNH2 (0.41) | KCNH2HRH1CYP2D6CHRM1MAPT | |
| SCHEMBL762669 | 0.86 | HRH1 (0.48) | KCNH2HRH1CYP2D6CHRM1MAPT | |
| SCHEMBL762869 | 0.86 | KCNH2 (0.48) | KCNH2HRH1CYP2D6CHRM1MAPT | |
| SCHEMBL742589 | 0.86 | KCNH2 (0.48) | KCNH2HRH1CYP2D6CHRM1MAPT | |
| SCHEMBL763428 | 0.86 | KCNH2 (0.44) | KCNH2HRH1CYP2D6CHRM1PADI4 | |
| SCHEMBL762666 | 0.85 | KCNH2 (0.40) | KCNH2HRH1CYP2D6CHRM1MAPT | |
| SCHEMBL16301236 | 0.84 | KCNH2 (0.47) | KCNH2HRH1CYP2D6CHRM1MAPT | |
| SCHEMBL740346 | 0.84 | HRH1 (0.47) | KCNH2HRH1CYP2D6CHRM1MAPT | |
| SCHEMBL762785 | 0.84 | HRH1 (0.42) | KCNH2HRH1CYP2D6CHRM1CYP3A4 |
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 |