Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7521846 | 1.00 | ALDH1A1 (0.37) | ALDH1A1HSD11B1SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL27463655 | 0.89 | ALDH1A1 (0.37) | ALDH1A1HSD11B1SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL27519042 | 0.84 | ALDH1A1 (0.39) | ALDH1A1HSD11B1SMN1; SMN2CYP1A2CYP2C9 | |
| SCHEMBL1700760 | 0.82 | CYP1A2 (0.37) | ALDH1A1SMN1; SMN2CYP1A2GAAMAPT | |
| SCHEMBL7517826 | 0.80 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2GAAMAPTPKM | |
| SCHEMBL6906118 | 0.75 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6913488 | 0.75 | ALDH1A1 (0.42) | ALDH1A1HSD11B1GAAPKML3MBTL1 | |
| SCHEMBL30130322 | 0.74 | CYP1A2 (0.39) | ALDH1A1HSD11B1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7524976 | 0.74 | CYP1A2 (0.39) | ALDH1A1HSD11B1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7164153 | 0.74 | SCN9A (0.30) | ALDH1A1MAPTMEN1KMT2A |
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-112745269-B | Phenyl isoxazoline compound and application thereof | 沈阳中化农药化工研发有限公司 | 2023-01-24 | — | — | CN | disclosed |