Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.40 |
| ▸ | HRH1 | P35367 | 8/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CASR | P41180 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL739777 | 0.92 | HRH1 (0.39) | KCNH2HRH1CYP2D6CHRM1ALDH1A1 | |
| SCHEMBL739776 | 0.92 | HRH1 (0.39) | KCNH2HRH1CYP2D6CHRM1ALDH1A1 | |
| SCHEMBL16301209 | 0.87 | HRH1 (0.36) | KCNH2HRH1CYP2D6CHRM1ALDH1A1 | |
| SCHEMBL741454 | 0.87 | HRH1 (0.36) | KCNH2HRH1CYP2D6CHRM1ALDH1A1 | |
| SCHEMBL740699 | 0.84 | KCNH2 (0.36) | KCNH2HRH1CYP2D6CHRM1ALDH1A1 | |
| SCHEMBL740700 | 0.84 | KCNH2 (0.36) | KCNH2HRH1CYP2D6CHRM1ALDH1A1 | |
| SCHEMBL763304 | 0.84 | ALDH1A1 (0.35) | KCNH2HRH1CYP2D6ALDH1A1TSHR | |
| SCHEMBL762541 | 0.84 | HRH1 (0.38) | KCNH2HRH1CYP2D6CHRM1NPC1 | |
| SCHEMBL739144 | 0.84 | KCNH2 (0.38) | KCNH2HRH1CYP2D6CHRM1ALDH1A1 | |
| SCHEMBL739145 | 0.84 | KCNH2 (0.38) | KCNH2HRH1CYP2D6CHRM1ALDH1A1 |
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 |