Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | HRH1 | P35367 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CFD | P00746 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.33 |
| ▸ | ITGAL | P20701 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL763047 | 1.00 | KCNH2 (0.36) | KCNH2HRH1CYP2D6CYP3A4CFD | |
| SCHEMBL741337 | 1.00 | KCNH2 (0.36) | KCNH2HRH1CYP2D6CYP3A4CFD | |
| SCHEMBL763176 | 1.00 | KCNH2 (0.36) | KCNH2HRH1CYP2D6CYP3A4CFD | |
| SCHEMBL762829 | 0.92 | KCNH2 (0.36) | KCNH2HRH1CYP2D6CYP3A4CFD | |
| SCHEMBL742122 | 0.92 | KCNH2 (0.36) | KCNH2HRH1CYP2D6CYP3A4CFD | |
| SCHEMBL763717 | 0.92 | KCNH2 (0.36) | KCNH2HRH1CYP2D6CYP3A4CFD | |
| SCHEMBL739310 | 0.92 | KCNH2 (0.36) | KCNH2HRH1CYP2D6CYP3A4CFD | |
| SCHEMBL741997 | 0.90 | KCNH2 (0.35) | KCNH2HRH1CYP2D6CYP3A4ALDH1A1 | |
| SCHEMBL740604 | 0.88 | KCNH2 (0.43) | KCNH2HRH1CYP2D6CYP3A4ALDH1A1 | |
| SCHEMBL740603 | 0.88 | KCNH2 (0.43) | KCNH2HRH1CYP2D6CYP3A4ALDH1A1 |
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 |