Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isoquinoline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.39 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL28292719 | 0.84 | ALPI (0.52) | KIF11SLC1A3SLC1A2SLC1A1ALPI | |
| Isoquinoline SCHEMBL10998779 | 0.83 | SMN1; SMN2 (0.47) | ROCK2ROCK1IMPDH2CCNCCDK8 | |
| Isoquinoline SCHEMBL6672600 | 0.81 | ROCK2 (0.48) | ROCK2ROCK1IMPDH2 | |
| Isoquinoline SCHEMBL7178771 | 0.80 | ROCK2 (0.48) | ROCK2ROCK1IMPDH2CCNCCDK8 | |
| Tyrosine SCHEMBL7387521 | 0.79 | SLC7A5 (0.63) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Isoquinoline SCHEMBL2230386 | 0.78 | IMPDH2 (0.50) | ROCK2ROCK1PKMIMPDH2CCNC | |
| Isoquinoline SCHEMBL11346369 | 0.78 | IMPDH2 (0.53) | ROCK2ROCK1IMPDH2CCNCCDK8 | |
| Cadaverine Tartrate SCHEMBL10993986 | 0.77 | KDM4E (0.51) | ROCK2ROCK1IMPDH2CCNCCDK8 | |
| Isoquinoline SCHEMBL5769309 | 0.77 | SLC7A5 (0.47) | ROCK2ROCK1SLC1A3SLC1A2SLC1A1 | |
| Isoquinoline SCHEMBL3099710 | 0.76 | KDM4E (0.50) | ROCK2ROCK1IMPDH2CCNCCDK8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108794400-B | Amino acid-containing ionic liquid with amino group on cation, and preparation method and application thereof | 辽宁大学 | 2021-06-25 | — | — | CN | disclosed |
| CN-108794400-A | A kind of ionic liquid and its preparation method and application containing amino acid of the cation with amino | 辽宁大学 | 2018-11-13 | — | — | CN | disclosed |
| CN-106220566-A | Ionic liquid with amino acid and preparation method and application thereof | 辽宁大学 | 2016-12-14 | — | — | CN | disclosed |