Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.41 |
| ▸ | ITK | Q08881 | 6/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.38 |
| ▸ | REN | P00797 | 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 | |
|---|---|---|---|---|
| SCHEMBL743901 | 1.00 | ADORA2A (0.48) | ADORA2AGPR119ITKCHEK2IRAK4 | |
| SCHEMBL740454 | 0.89 | ADORA2A (0.51) | ADORA2AITKHRH1KCNH2CYP2D6 | |
| SCHEMBL742014 | 0.88 | HTT (0.43) | CHEK2HRH1KCNH2CYP2D6MEN1 | |
| SCHEMBL741680 | 0.88 | TRPV3 (0.41) | CHEK2HRH1KCNH2CYP2D6CHRM1 | |
| SCHEMBL741679 | 0.88 | TRPV3 (0.41) | CHEK2HRH1KCNH2CYP2D6CHRM1 | |
| SCHEMBL762594 | 0.88 | TRPV3 (0.43) | HRH1KCNH2CYP2D6MAPTCHRM1 | |
| SCHEMBL742013 | 0.88 | HTT (0.43) | CHEK2HRH1KCNH2CYP2D6MEN1 | |
| SCHEMBL740873 | 0.86 | SCN9A (0.45) | ADORA2ACHEK2HRH1KCNH2CYP2D6 | |
| SCHEMBL741974 | 0.86 | KCNH2 (0.52) | HRH1KCNH2CYP2D6CHRM1 | |
| SCHEMBL741975 | 0.86 | KCNH2 (0.52) | HRH1KCNH2CYP2D6CHRM1 |
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 |