Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.36 |
| ▸ | HRH1 | P35367 | 6/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.36 |
| ▸ | BTK | Q06187 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CFD | P00746 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL740699 | 1.00 | KCNH2 (0.36) | KCNH2HRH1CYP2D6BTKALDH1A1 | |
| SCHEMBL739144 | 0.92 | KCNH2 (0.38) | KCNH2HRH1CYP2D6ALDH1A1TSHR | |
| SCHEMBL739777 | 0.92 | HRH1 (0.39) | KCNH2HRH1CYP2D6ALDH1A1TSHR | |
| SCHEMBL739145 | 0.92 | KCNH2 (0.38) | KCNH2HRH1CYP2D6ALDH1A1TSHR | |
| SCHEMBL739776 | 0.92 | HRH1 (0.39) | KCNH2HRH1CYP2D6ALDH1A1TSHR | |
| SCHEMBL763431 | 0.92 | HRH1 (0.38) | KCNH2HRH1CYP2D6CHRM1OPRK1 | |
| SCHEMBL740912 | 0.91 | KCNH2 (0.35) | KCNH2HRH1CYP2D6BTKALDH1A1 | |
| SCHEMBL740911 | 0.91 | KCNH2 (0.35) | KCNH2HRH1CYP2D6BTKALDH1A1 | |
| SCHEMBL739244 | 0.90 | HRH1 (0.46) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL739245 | 0.90 | HRH1 (0.46) | 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 |