Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | HRH1 | P35367 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ITK | Q08881 | 9/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 2/20 | 0.35 |
| ▸ | CASR | P41180 | 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 | |
|---|---|---|---|---|
| SCHEMBL738741 | 0.91 | KCNH2 (0.39) | HRH1KCNH2CYP2D6CHRM1 | |
| SCHEMBL742065 | 0.91 | HRH1 (0.39) | HRH1KCNH2CYP2D6CHRM1TACR1 | |
| SCHEMBL741317 | 0.91 | HRH1 (0.45) | HRH1KCNH2CYP2D6CHRM1 | |
| SCHEMBL740611 | 0.91 | KCNH2 (0.38) | HRH1KCNH2CYP2D6CHRM1 | |
| SCHEMBL738710 | 0.89 | KCNH2 (0.37) | HRH1KCNH2CYP2D6CHRM1TACR1 | |
| SCHEMBL742749 | 0.88 | HRH1 (0.43) | HRH1KCNH2CYP2D6ITKCHRM1 | |
| SCHEMBL739752 | 0.87 | ADORA2A (0.43) | ADORA2AHRH1KCNH2CYP2D6ITK | |
| SCHEMBL739753 | 0.87 | ADORA2A (0.43) | ADORA2AHRH1KCNH2CYP2D6ITK | |
| SCHEMBL742192 | 0.87 | HRH1 (0.40) | HRH1KCNH2CYP2D6ITKCHRM1 | |
| SCHEMBL739955 | 0.87 | ADORA2A (0.43) | ADORA2AHRH1KCNH2CYP2D6ITK |
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 |