Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.34 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.34 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.34 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.34 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.34 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.34 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22004473 | 0.78 | POLB (0.38) | CYP11B1CYP11B2POLBHCAR2KDM4E | |
| SCHEMBL3507833 | 0.78 | CYP11B1 (0.42) | CYP11B1CYP11B2POLBHCAR2KDM4E | |
| SCHEMBL24534060 | 0.78 | CYP11B1 (0.42) | CYP11B1CYP11B2POLBHCAR2KDM4E | |
| SCHEMBL185547 | 0.77 | CYP11B1 (0.49) | CYP11B1CYP11B2POLBHCAR2CYP3A4 | |
| SCHEMBL29920114 | 0.77 | CYP11B1 (0.49) | CYP11B1CYP11B2POLBHCAR2CYP3A4 | |
| SCHEMBL22658213 | 0.77 | KDM4E (0.33) | KDM4E | |
| SCHEMBL25480051 | 0.74 | CYP11B1 (0.41) | CYP11B1CYP11B2CYP1A2CYP3A4SLC22A12 | |
| SCHEMBL2732538 | 0.73 | CYP1A2 (0.39) | CYP11B1CYP11B2POLBHCAR2KDM4E | |
| SCHEMBL433999 | 0.72 | CYP11B2 (0.44) | CYP11B1CYP11B2 | |
| SCHEMBL16751902 | 0.71 | POLB (0.44) | POLBHCAR2KDM4EHTTMAPT |
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 |