Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 1/20 | 0.30 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5478891 | 0.88 | ALDH1A1 (0.42) | ALDH1A1CA1CA2SOAT1 | |
| SCHEMBL12544759 | 0.85 | ALDH1A1 (0.44) | ALDH1A1TDP1CA1CA2HCAR2 | |
| SCHEMBL1469370 | 0.80 | ALDH1A1 (0.42) | ALDH1A1TDP1CA1CA2HCAR2 | |
| SCHEMBL5489822 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TDP1CA1CA2HCAR2 | |
| SCHEMBL5487678 | 0.79 | CA2 (0.37) | ALDH1A1TDP1CA1CA2ATM | |
| SCHEMBL5486663 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TDP1MEN1KMT2ASOAT1 | |
| SCHEMBL1470330 | 0.78 | ALDH1A1 (0.40) | ALDH1A1HCAR2ATM | |
| SCHEMBL2344059 | 0.78 | ALDH1A1 (0.42) | ALDH1A1SOAT1NAAA | |
| SCHEMBL1470106 | 0.78 | ALDH1A1 (0.42) | ALDH1A1SOAT1 | |
| SCHEMBL1469732 | 0.78 | NAAA (0.44) | ALDH1A1HCAR2NAAAPRKCAPRKCD |
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 |