Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | PREP | P48147 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 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 | |
|---|---|---|---|---|
| SCHEMBL91259 | 0.90 | HTR2C (0.33) | HTR2CPDK1PDK2PDK3PDK4 | |
| SCHEMBL91275 | 0.86 | PPARG (0.38) | TSHRL3MBTL1KDM4ELMNA | |
| SCHEMBL91257 | 0.86 | ITGB3 (0.34) | KDM4ELMNA | |
| SCHEMBL91304 | 0.82 | PDK1 (0.35) | HTR2CPDK1PDK2PDK3PDK4 | |
| SCHEMBL78404 | 0.79 | PDK1 (0.35) | HTR2CPDK1PDK2PDK3PDK4 | |
| SCHEMBL14420341 | 0.79 | HTR2C (0.41) | HTR2CPDK1PDK2PDK3PDK4 | |
| SCHEMBL91296 | 0.77 | PDK1 (0.36) | PARP1HTR2CPDK1PDK2PDK3 | |
| SCHEMBL91260 | 0.77 | PPARA (0.35) | HTR2CPDK1PDK2PDK3PDK4 | |
| SCHEMBL65685 | 0.73 | CHRM5 (0.40) | PDK1PDK2PDK3PDK4LMNA | |
| SCHEMBL14420257 | 0.72 | POLB (0.48) | HTR2CPDK1PDK2PDK3PDK4 |
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-8129538-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-06 | — | — | US | disclosed |