Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL78189 | 0.91 | PDK1 (0.38) | PDK1PDK2PDK3PDK4CCR5 | |
| SCHEMBL78407 | 0.89 | PDK1 (0.37) | PDK1PDK2PDK3PDK4CCR5 | |
| SCHEMBL78185 | 0.82 | PDK1 (0.40) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL65685 | 0.82 | CHRM5 (0.40) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL65231 | 0.81 | CHRM5 (0.39) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL18767256 | 0.79 | RAB9A (0.43) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL8701755 | 0.78 | PSEN1 (0.41) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL8701756 | 0.78 | PSEN1 (0.41) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL7576828 | 0.77 | PDK1 (0.40) | PDK1PDK2PDK3PDK4ELANE | |
| SCHEMBL4399041 | 0.77 | TMEM97 (0.45) | — |
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 |