Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 7/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | REN | P00797 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 6/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL741317 | 0.91 | HRH1 (0.45) | HRH1KCNH2CYP2D6CHRM1USP2 | |
| SCHEMBL762990 | 0.87 | KCNH2 (0.39) | HRH1KCNH2CYP2D6RENCHRM1 | |
| SCHEMBL740435 | 0.86 | KCNH2 (0.38) | HRH1KCNH2CYP2D6CHRM1USP2 | |
| SCHEMBL740434 | 0.86 | KCNH2 (0.38) | HRH1KCNH2CYP2D6CHRM1USP2 | |
| SCHEMBL738741 | 0.84 | KCNH2 (0.39) | HRH1KCNH2CYP2D6CHRM1ALDH1A1 | |
| SCHEMBL742065 | 0.84 | HRH1 (0.39) | HRH1KCNH2CYP2D6CHRM1 | |
| SCHEMBL763789 | 0.84 | CTSB (0.37) | HRH1KCNH2CYP2D6CHRM1ALDH1A1 | |
| SCHEMBL742192 | 0.84 | HRH1 (0.40) | HRH1KCNH2CYP2D6CHRM1MAPT | |
| SCHEMBL740611 | 0.84 | KCNH2 (0.38) | HRH1KCNH2CYP2D6CHRM1 | |
| SCHEMBL739588 | 0.83 | HRH1 (0.43) | HRH1KCNH2CYP2D6CHRM1ALDH1A1 |
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 |