Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | BRAF | P15056 | 2/20 | 0.35 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21465752 | 0.83 | NR1H2 (0.59) | NR1H2ALDH1A1KDM4EPOLBMAPT | |
| SCHEMBL20160565 | 0.81 | TNKS (0.41) | ALDH1A1KDM4EMAPTCHKAGAA | |
| SCHEMBL21470484 | 0.77 | FGFR4 (0.41) | NR1H2ALDH1A1KDM4EPOLBSRC | |
| SCHEMBL21465801 | 0.76 | KIT (0.48) | SRCEGFRBRAFFGFR4 | |
| SCHEMBL30486114 | 0.75 | EGFR (0.46) | SRCEGFRBRAFFGFR4RET | |
| SCHEMBL24533974 | 0.73 | RET (0.43) | NR1H2ALDH1A1KDM4EPOLBEGFR | |
| SCHEMBL21551702 | 0.71 | KDM4E (0.45) | ALDH1A1KDM4EMAPTCHKAGAA | |
| SCHEMBL2067677 | 0.71 | HTT (0.35) | SSTR4 | |
| SCHEMBL1577283 | 0.71 | CYP11B1 (0.35) | SSTR4 | |
| SCHEMBL1252213 | 0.70 | GAA (0.48) | NR1H2ALDH1A1KDM4EPOLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022128850-A1 | NOVEL ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES | GALAPAGOS NV (BE) | 2022-06-23 | — | — | WO | disclosed |