Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.34 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12544759 | 0.94 | ALDH1A1 (0.44) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL5489828 | 0.89 | HCAR2 (0.39) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL5476615 | 0.88 | CA2 (0.38) | ALDH1A1ATMHCAR2TSHRCA2 | |
| SCHEMBL1469665 | 0.87 | ALDH1A1 (0.44) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL1470381 | 0.84 | LPAR1 (0.42) | ALDH1A1ATMTSHRHPGDLMNA | |
| SCHEMBL5916680 | 0.83 | ALDH1A1 (0.42) | ALDH1A1ATMTSHRHPGDCA2 | |
| SCHEMBL1469297 | 0.83 | NAAA (0.44) | ALDH1A1TSHRLMNALPAR1LPAR3 | |
| SCHEMBL1470110 | 0.80 | LPAR1 (0.46) | ALDH1A1LPAR1LPAR3TLR2 | |
| SCHEMBL5487678 | 0.80 | CA2 (0.37) | ALDH1A1ATMTSHRCA2LMNA | |
| SCHEMBL1470348 | 0.80 | LPAR1 (0.42) | ALDH1A1ATMLPAR1LPAR3TLR2 |
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 |