Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 6/20 | 0.41 |
| ▸ | HRH1 | P35367 | 5/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ITK | Q08881 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL739362 | 0.92 | HRH1 (0.40) | NLRP3HRH1KCNH2CYP2D6SMN1; SMN2 | |
| SCHEMBL762527 | 0.91 | NLRP3 (0.39) | NLRP3HRH1KCNH2CYP2D6SMN1; SMN2 | |
| SCHEMBL739919 | 0.91 | HRH1 (0.45) | HRH1KCNH2CYP2D6CHRM1 | |
| SCHEMBL740452 | 0.86 | NLRP3 (0.37) | NLRP3HRH1KCNH2CYP2D6SMN1; SMN2 | |
| SCHEMBL763422 | 0.85 | HRH1 (0.37) | NLRP3HRH1KCNH2CYP2D6SMN1; SMN2 | |
| SCHEMBL740088 | 0.84 | HRH1 (0.45) | HRH1KCNH2CYP2D6CHRM1 | |
| SCHEMBL741162 | 0.84 | FPR2 (0.35) | HRH1KCNH2CYP2D6SMN1; SMN2CHRM1 | |
| SCHEMBL739361 | 0.84 | HRH1 (0.35) | HRH1KCNH2CYP2D6CHRM1ITK | |
| SCHEMBL740312 | 0.83 | HRH1 (0.45) | HRH1KCNH2CYP2D6TP53CHRM1 | |
| SCHEMBL740685 | 0.82 | HRH1 (0.40) | NLRP3HRH1KCNH2CYP2D6SMN1; SMN2 |
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 |