Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 3/20 | 0.46 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.45 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.45 |
| ▸ | 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 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17763122 | 0.80 | SSTR4 (0.49) | TRPA1SSTR4SSTR1PLAUCYP2A6 | |
| SCHEMBL3632307 | 0.77 | PLAU (0.47) | TRPA1SSTR4SSTR1PLAUCYP2A6 | |
| SCHEMBL29868570 | 0.77 | CYP2A6 (0.52) | TRPA1SSTR4SSTR1PLAUCYP2A6 | |
| SCHEMBL5656365 | 0.77 | PLAU (0.52) | TRPA1SSTR4SSTR1PLAUCYP2A6 | |
| SCHEMBL4268270 | 0.77 | CYP2A6 (0.52) | TRPA1SSTR4SSTR1PLAUCYP2A6 | |
| SCHEMBL28033606 | 0.76 | TRPA1 (0.47) | TRPA1CNR2SSTR4SSTR1PLAU | |
| SCHEMBL13954037 | 0.76 | TRPA1 (0.53) | TRPA1CNR2PLAUCYP2A6F12 | |
| SCHEMBL6110247 | 0.75 | TRPA1 (0.60) | TRPA1PLAUCYP2A6F12NCF1 | |
| SCHEMBL31498832 | 0.75 | TRPA1 (0.60) | TRPA1PLAUCYP2A6F12NCF1 | |
| SCHEMBL17508501 | 0.74 | TRPA1 (0.59) | TRPA1CNR2PLAUCYP2A6F12 |
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 |