Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.39 |
| ▸ | HRH1 | P35367 | 7/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL742065 | 0.94 | HRH1 (0.39) | KCNH2HRH1CYP2D6CYP3A4CHRM1 | |
| SCHEMBL741317 | 0.94 | HRH1 (0.45) | KCNH2HRH1CYP2D6CYP3A4CHRM1 | |
| SCHEMBL740611 | 0.93 | KCNH2 (0.38) | KCNH2HRH1CYP2D6CYP3A4CHRM1 | |
| SCHEMBL740359 | 0.91 | ADORA2A (0.40) | KCNH2HRH1CYP2D6CHRM1 | |
| SCHEMBL738710 | 0.91 | KCNH2 (0.37) | KCNH2HRH1CYP2D6CHRM1ALDH1A1 | |
| SCHEMBL742192 | 0.89 | HRH1 (0.40) | KCNH2HRH1CYP2D6CHRM1MAPT | |
| SCHEMBL739598 | 0.88 | HRH1 (0.35) | KCNH2HRH1CYP2D6CHRM1ALDH1A1 | |
| SCHEMBL741454 | 0.88 | HRH1 (0.36) | KCNH2HRH1CYP2D6CYP3A4CHRM1 | |
| SCHEMBL741879 | 0.87 | HRH1 (0.44) | KCNH2HRH1CYP2D6CYP3A4CHRM1 | |
| SCHEMBL742487 | 0.87 | HRH1 (0.36) | KCNH2HRH1CYP2D6CYP3A4CHRM1 |
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 |