Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 8/20 | 0.39 |
| ▸ | HRH1 | P35367 | 7/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.38 |
| ▸ | GLP1R | P43220 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 2/20 | 0.35 |
| ▸ | CPT2 | P23786 | 1/20 | 0.35 |
| ▸ | CPT1A | P50416 | 1/20 | 0.35 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL740708 | 0.93 | HRH1 (0.39) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL739252 | 0.93 | KCNH2 (0.41) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL739901 | 0.92 | HRH1 (0.46) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL742275 | 0.92 | HRH1 (0.42) | KCNH2HRH1CYP2D6CHRM1TP53 | |
| SCHEMBL762513 | 0.92 | KCNH2 (0.36) | KCNH2HRH1CYP2D6CHRM1GLP1R | |
| SCHEMBL739955 | 0.90 | ADORA2A (0.43) | KCNH2HRH1CYP2D6CHRM1ITK | |
| SCHEMBL742135 | 0.90 | KCNH2 (0.39) | KCNH2HRH1CYP2D6CHRM1GLP1R | |
| SCHEMBL742136 | 0.90 | KCNH2 (0.39) | KCNH2HRH1CYP2D6CHRM1GLP1R | |
| SCHEMBL739863 | 0.89 | KCNH2 (0.35) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL740312 | 0.89 | HRH1 (0.45) | KCNH2HRH1CYP2D6CHRM1CYP3A4 |
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 |