Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.40 |
| ▸ | HRH1 | P35367 | 9/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL762734 | 0.93 | KCNH2 (0.41) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL741095 | 0.93 | ATM (0.40) | ATMKCNH2HRH1CYP2D6CHRM1 | |
| SCHEMBL741096 | 0.93 | ATM (0.40) | ATMKCNH2HRH1CYP2D6CHRM1 | |
| SCHEMBL762733 | 0.92 | KCNH2 (0.41) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL763296 | 0.92 | KCNH2 (0.42) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL763236 | 0.91 | KCNH2 (0.42) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL763315 | 0.91 | KCNH2 (0.41) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL762933 | 0.91 | KCNH2 (0.41) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL762908 | 0.90 | KCNH2 (0.45) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL762639 | 0.89 | KCNH2 (0.40) | 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 |