Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 10/20 | 0.45 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | USP7 | Q93009 | 2/20 | 0.41 |
| ▸ | USP10 | Q14694 | 1/20 | 0.41 |
| ▸ | USP47 | Q96K76 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL576377 | 1.00 | ALDH1A1 (0.46) | ALDH1A1MAPK14MAPK13PTGS2PTGS1 | |
| SCHEMBL3544040 | 0.87 | MAPK14 (0.39) | ALDH1A1MAPK14MAPK13PTGS2PTGS1 | |
| SCHEMBL576683 | 0.83 | ALDH1A1 (0.46) | ALDH1A1MAPK14MAPK13PTGS2PTGS1 | |
| SCHEMBL30453204 | 0.83 | ALDH1A1 (0.46) | ALDH1A1MAPK14MAPK13PTGS2PTGS1 | |
| SCHEMBL777382 | 0.82 | MAPK14 (0.42) | ALDH1A1MAPK14MAPK13 | |
| SCHEMBL29722938 | 0.82 | MAPK14 (0.42) | ALDH1A1MAPK14MAPK13 | |
| SCHEMBL1339061 | 0.82 | SLC6A4 (0.51) | ALDH1A1 | |
| SCHEMBL19042224 | 0.79 | ALDH1A1 (0.48) | ALDH1A1MAPK14MAPK13CES2CES1 | |
| SCHEMBL576684 | 0.79 | ALDH1A1 (0.42) | ALDH1A1MAPK14MAPK13PTGS2PTGS1 | |
| SCHEMBL29722916 | 0.79 | ALDH1A1 (0.42) | ALDH1A1MAPK14MAPK13PTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115911573-A | Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2023-04-04 | — | — | CN | disclosed |