Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 10/20 | 0.36 |
| ▸ | TNKS | O95271 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.36 |
| ▸ | HRH1 | P35367 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 6/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL742382 | 1.00 | KCNH2 (0.37) | KCNH2CYP3A4MAPTTNKSPARP1 | |
| SCHEMBL742147 | 0.93 | KCNH2 (0.42) | KCNH2CYP3A4MAPTTNKSPARP1 | |
| SCHEMBL742172 | 0.93 | KCNH2 (0.42) | KCNH2CYP3A4MAPTTNKSPARP1 | |
| SCHEMBL742362 | 0.90 | KCNH2 (0.42) | KCNH2CYP3A4MAPTTNKSPARP1 | |
| SCHEMBL742361 | 0.90 | KCNH2 (0.42) | KCNH2CYP3A4MAPTTNKSPARP1 | |
| SCHEMBL738967 | 0.89 | HRH1 (0.40) | KCNH2CYP3A4MAPTHRH1CYP2D6 | |
| SCHEMBL738968 | 0.89 | HRH1 (0.40) | KCNH2CYP3A4MAPTHRH1CYP2D6 | |
| SCHEMBL763334 | 0.88 | HRH1 (0.40) | KCNH2CYP3A4MAPTHRH1CYP2D6 | |
| SCHEMBL743285 | 0.87 | HRH1 (0.38) | KCNH2CYP3A4MAPTTNKSPARP1 | |
| SCHEMBL743286 | 0.87 | HRH1 (0.38) | KCNH2CYP3A4MAPTTNKSPARP1 |
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 | claimed |