Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | PRKCA | P17252 | 1/20 | 0.38 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL5483221 | 0.95 | TSHR (0.39) | TSHRCYP3A4RARBPRKCAPRKCD | |
| SCHEMBL5484197 | 0.93 | CTSK (0.39) | TSHRCYP3A4RARBPRKCAPRKCD | |
| SCHEMBL5479561 | 0.92 | CYP3A4 (0.37) | TSHRCYP3A4RARBPRKCAPRKCD | |
| SCHEMBL12544758 | 0.89 | PRKCA (0.41) | TSHRCYP3A4RARBPRKCAPRKCD | |
| SCHEMBL5480819 | 0.87 | MAPT (0.41) | PLA2G2CMEN1THRBHTTKMT2A | |
| SCHEMBL1837070 | 0.87 | CA2 (0.46) | PRKCAPRKCDACHEBACE1CTSK | |
| SCHEMBL5480661 | 0.85 | PLA2G2A (0.41) | MEN1THRBHTTKMT2AMAPT | |
| SCHEMBL5483726 | 0.85 | PLA2G2C (0.44) | CYP3A4PLA2G2CMEN1THRBHTT | |
| SCHEMBL1836821 | 0.83 | CTSK (0.50) | PRKCAPRKCDACHEBACE1CTSK | |
| SCHEMBL1835395 | 0.83 | GPR84 (0.47) | CTSKCA2MAPTMAPK1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1744394-A1 | NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2007-01-17 | — | — | EP | disclosed |