Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 1/20 | 0.32 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL5480827 | 0.94 | HCAR2 (0.40) | ALDH1A1TSHRHCAR2NAAA | |
| SCHEMBL5487123 | 0.91 | HCAR2 (0.40) | ALDH1A1TSHRHCAR2CA2CA1 | |
| SCHEMBL5484203 | 0.89 | ALDH1A1 (0.39) | ALDH1A1TSHRHCAR2CA2CA1 | |
| SCHEMBL5479564 | 0.86 | CA2 (0.39) | ALDH1A1TSHRHCAR2CA2CA1 | |
| SCHEMBL5483230 | 0.84 | PLA2G2C (0.37) | ALDH1A1TSHRHCAR2CA2CA1 | |
| SCHEMBL5480823 | 0.83 | NAAA (0.39) | ALDH1A1TSHRHCAR2PLA2G2CNAAA | |
| SCHEMBL5484677 | 0.82 | ALDH1A1 (0.39) | ALDH1A1TSHRHCAR2PRKCAPRKCD | |
| SCHEMBL5480815 | 0.82 | ALDH1A1 (0.39) | ALDH1A1TSHRHCAR2PRKCAPRKCD | |
| SCHEMBL5475503 | 0.81 | TSHR (0.40) | ALDH1A1TSHRTHRB | |
| SCHEMBL5480672 | 0.80 | ZDHHC7 (0.41) | HCAR2NAAA |
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 |