Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | F12 | P00748 | 1/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 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 | |
|---|---|---|---|---|
| SCHEMBL5216468 | 0.83 | TRPA1 (0.43) | MAPTTRPA1PLAUCYP2A6F12 | |
| SCHEMBL3632307 | 0.77 | PLAU (0.47) | MAPTTRPA1PLAUCYP2A6F12 | |
| SCHEMBL29868570 | 0.77 | CYP2A6 (0.52) | MAPTHPGDTRPA1PLAUCYP2A6 | |
| SCHEMBL5656365 | 0.77 | PLAU (0.52) | MAPTTRPA1PLAUCYP2A6F12 | |
| SCHEMBL4268270 | 0.77 | CYP2A6 (0.52) | MAPTHPGDTRPA1PLAUCYP2A6 | |
| SCHEMBL5015062 | 0.76 | PLAU (0.50) | MAPTTRPA1PLAUCYP2A6F12 | |
| SCHEMBL31498832 | 0.75 | TRPA1 (0.60) | MAPTTRPA1PLAUCYP2A6F12 | |
| SCHEMBL6110247 | 0.75 | TRPA1 (0.60) | MAPTTRPA1PLAUCYP2A6F12 | |
| SCHEMBL4272451 | 0.74 | CNR1 (0.49) | MAPTHPGDTRPA1PLAUCYP2A6 | |
| SCHEMBL30223332 | 0.74 | TRPA1 (0.44) | TRPA1PLAUCYP2A6F12NCF1 |
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-115286573-B | Green synthesis method of 1-alkoxyisoquinoline compound | 常州工程职业技术学院 | 2024-12-10 | — | — | CN | disclosed |
| CN-115286573-A | Green synthesis method of 1-alkoxy isoquinoline compound | 常州工程职业技术学院 | 2022-11-04 | — | — | CN | disclosed |