Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | REN | P00797 | 4/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL762504 | 0.93 | HRH1 (0.37) | KLK5HRH1CYP2D6HRH2ACE | |
| SCHEMBL739361 | 0.91 | HRH1 (0.35) | HRH1CYP2D6ITKKCNH2REN | |
| SCHEMBL763173 | 0.91 | CTSB (0.35) | KLK5HRH1CYP2D6HRH2KCNH2 | |
| SCHEMBL763266 | 0.90 | KLK5 (0.35) | KLK5HRH1CYP2D6CACNA1BHRH2 | |
| SCHEMBL762674 | 0.89 | HRH1 (0.41) | KLK5HRH1CYP2D6KCNH2 | |
| SCHEMBL763880 | 0.85 | HRH1 (0.43) | KLK5HRH1CYP2D6KCNH2 | |
| SCHEMBL763178 | 0.85 | HRH1 (0.43) | KLK5HRH1CYP2D6KCNH2 | |
| SCHEMBL762527 | 0.85 | NLRP3 (0.39) | KLK5HRH1CYP2D6CACNA1BHRH2 | |
| SCHEMBL763793 | 0.85 | HRH1 (0.40) | HRH1CYP2D6KCNH2 | |
| SCHEMBL740778 | 0.85 | MMEL1 (0.38) | HRH1CYP2D6KCNH2ITGB3ITGA2B |
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 2 patents. 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 |
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |