Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.39 |
| ▸ | HRH1 | P35367 | 8/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | ITK | Q08881 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL763459 | 1.00 | KCNH2 (0.39) | KCNH2HRH1CYP2D6CHRM1PPARA | |
| SCHEMBL739989 | 1.00 | KCNH2 (0.39) | KCNH2HRH1CYP2D6CHRM1PPARA | |
| SCHEMBL739665 | 0.94 | KCNH2 (0.39) | KCNH2HRH1CYP2D6CHRM1PPARA | |
| SCHEMBL739666 | 0.94 | KCNH2 (0.39) | KCNH2HRH1CYP2D6CHRM1PPARA | |
| SCHEMBL762659 | 0.94 | KCNH2 (0.39) | KCNH2HRH1CYP2D6CHRM1PPARA | |
| SCHEMBL740554 | 0.92 | KCNH2 (0.39) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL740553 | 0.92 | KCNH2 (0.39) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL739245 | 0.92 | HRH1 (0.46) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL739244 | 0.92 | HRH1 (0.46) | KCNH2HRH1CYP2D6CHRM1CYP3A4 | |
| SCHEMBL740800 | 0.92 | HRH1 (0.44) | KCNH2HRH1CYP2D6CHRM1ITK |
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 |