Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | HRH1 | P35367 | 8/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL742322 | 0.93 | MAPT (0.42) | TP53HRH1CYP2D6MAPTKCNH2 | |
| SCHEMBL742321 | 0.93 | MAPT (0.42) | TP53HRH1CYP2D6MAPTKCNH2 | |
| SCHEMBL762670 | 0.92 | HRH1 (0.45) | TP53HRH1CYP2D6ALDH1A1KCNH2 | |
| SCHEMBL762802 | 0.87 | HRH1 (0.43) | TP53HRH1CYP2D6ALDH1A1KCNH2 | |
| SCHEMBL763291 | 0.87 | TP53 (0.43) | TP53HRH1CYP2D6ALDH1A1MAPT | |
| SCHEMBL762969 | 0.87 | HRH1 (0.46) | TP53HRH1CYP2D6ALDH1A1KCNH2 | |
| SCHEMBL763197 | 0.86 | HRH1 (0.47) | HRH1CYP2D6ALDH1A1KCNH2CHRM1 | |
| SCHEMBL763356 | 0.85 | HRH1 (0.45) | TP53HRH1CYP2D6ALDH1A1KCNH2 | |
| SCHEMBL762972 | 0.85 | HRH1 (0.45) | TP53HRH1CYP2D6ALDH1A1KCNH2 | |
| SCHEMBL741579 | 0.85 | KCNH2 (0.45) | TP53HRH1CYP2D6MAPTKCNH2 |
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 |