Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
| ▸ | ABAT | P80404 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | KCNJ1 | P48048 | 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 | |
|---|---|---|---|---|
| SCHEMBL28496291 | 0.75 | CES2 (0.38) | CYP2A6 | |
| SCHEMBL25387866 | 0.74 | PTGS2 (0.35) | ALDH1A1PTGS2 | |
| SCHEMBL28510347 | 0.72 | SMN1; SMN2 (0.39) | ALDH1A1KDM4EEGFRRAB9A | |
| SCHEMBL28406020 | 0.71 | CES1 (0.48) | ALDH1A1 | |
| SCHEMBL28410813 | 0.71 | CA1 (0.48) | ALDH1A1KDM4ERAB9A | |
| SCHEMBL28497997 | 0.70 | MAPT (0.46) | ALDH1A1PARP10KDM4EHSD17B10 | |
| SCHEMBL13617872 | 0.69 | ALDH1A1 (0.62) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL47357 | 0.67 | CYP2A6 (0.54) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL14388670 | 0.67 | ALDH1A1 (0.54) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL19312074 | 0.67 | ALDH1A1 (0.54) | ALDH1A1ALDH5A1ABATPARP10PARP3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111087355-B | Synthetic method of 5-trifluoromethyl-isoxazole compound | 福州大学 | 2023-04-04 | — | — | CN | disclosed |
| CN-111087355-A | Synthetic method of 5-trifluoromethyl-isoxazole compound | 福州大学 | 2020-05-01 | — | — | CN | disclosed |