Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.45 |
| ▸ | HRH1 | P35367 | 8/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | DPP4 | P27487 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL742709 | 1.00 | KCNH2 (0.45) | KCNH2HRH1CYP2D6CHRM1TP53 | |
| SCHEMBL741848 | 0.93 | KCNH2 (0.45) | KCNH2HRH1CYP2D6CHRM1TP53 | |
| SCHEMBL741847 | 0.93 | KCNH2 (0.45) | KCNH2HRH1CYP2D6CHRM1TP53 | |
| SCHEMBL741961 | 0.90 | HRH1 (0.45) | KCNH2HRH1CYP2D6CHRM1TP53 | |
| SCHEMBL741962 | 0.90 | HRH1 (0.45) | KCNH2HRH1CYP2D6CHRM1TP53 | |
| SCHEMBL738833 | 0.89 | HRH1 (0.49) | KCNH2HRH1CYP2D6CHRM1DPP4 | |
| SCHEMBL738834 | 0.89 | HRH1 (0.49) | KCNH2HRH1CYP2D6CHRM1DPP4 | |
| SCHEMBL740546 | 0.89 | DPP4 (0.44) | KCNH2HRH1CYP2D6CHRM1TP53 | |
| SCHEMBL742023 | 0.89 | DPP4 (0.43) | KCNH2HRH1CYP2D6CHRM1TP53 | |
| SCHEMBL740547 | 0.89 | DPP4 (0.44) | KCNH2HRH1CYP2D6CHRM1TP53 |
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 | claimed |
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |