Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | HRH1 | P35367 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | ITK | Q08881 | 10/20 | 0.38 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL739753 | 1.00 | ADORA2A (0.43) | ADORA2AKCNH2HRH1CYP2D6ITK | |
| SCHEMBL740604 | 0.90 | KCNH2 (0.43) | KCNH2HRH1CYP2D6CHRM1 | |
| SCHEMBL738317 | 0.90 | HRH1 (0.39) | ADORA2AKCNH2HRH1CYP2D6CHRM1 | |
| SCHEMBL740603 | 0.90 | KCNH2 (0.43) | KCNH2HRH1CYP2D6CHRM1 | |
| SCHEMBL739244 | 0.90 | HRH1 (0.46) | KCNH2HRH1CYP2D6CHRM1 | |
| SCHEMBL739245 | 0.90 | HRH1 (0.46) | KCNH2HRH1CYP2D6CHRM1 | |
| SCHEMBL739955 | 0.90 | ADORA2A (0.43) | ADORA2AKCNH2HRH1CYP2D6ITK | |
| SCHEMBL739990 | 0.90 | HRH1 (0.44) | KCNH2HRH1CYP2D6DPP4CHRM1 | |
| SCHEMBL762659 | 0.90 | KCNH2 (0.39) | ADORA2AKCNH2HRH1CYP2D6CHRM1 | |
| SCHEMBL739666 | 0.90 | KCNH2 (0.39) | ADORA2AKCNH2HRH1CYP2D6CHRM1 |
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 4 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 | claimed |
| 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 |
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |