Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | AOC1 | P19801 | 2/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18572157 | 0.80 | CHRNB2 (0.31) | CYP3A4CYP2C19 | |
| SCHEMBL23609569 | 0.77 | AOC1 (0.32) | AOC1AOC3 | |
| SCHEMBL20691106 | 0.76 | CHRM5 (0.31) | — | |
| SCHEMBL22700096 | 0.74 | — | — | |
| SCHEMBL10585694 | 0.72 | — | — | |
| SCHEMBL18572156 | 0.70 | CHRNB2 (0.32) | AOC1AOC3 | |
| SCHEMBL18572161 | 0.70 | — | — | |
| SCHEMBL25159163 | 0.66 | CTSD (0.32) | CYP3A4 | |
| SCHEMBL24533972 | 0.66 | — | — | |
| SCHEMBL27531300 | 0.64 | MEN1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022128850-A1 | NOVEL ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES | GALAPAGOS NV (BE) | 2022-06-23 | — | — | WO | disclosed |
| WO-2019023651-A2 | SMALL MOLECULE MODULATORS OF THE ANDROGEN RECEPTOR | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2019-01-31 | — | — | WO | disclosed |