Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25834890 | 0.81 | CYP3A4 (0.44) | CYP3A4NPSR1 | |
| SCHEMBL25834882 | 0.81 | CYP3A4 (0.44) | CYP3A4NPSR1 | |
| SCHEMBL25834893 | 0.80 | CYP3A4 (0.43) | CYP3A4NPSR1 | |
| SCHEMBL25835002 | 0.80 | CYP3A4 (0.43) | CYP3A4NPSR1 | |
| SCHEMBL25834995 | 0.80 | CYP3A4 (0.43) | CYP3A4NPSR1 | |
| SCHEMBL25834886 | 0.80 | CYP3A4 (0.43) | CYP3A4NPSR1 | |
| SCHEMBL25835149 | 0.80 | CYP3A4 (0.40) | CYP3A4NPSR1 | |
| SCHEMBL25835152 | 0.79 | CYP3A4 (0.39) | CYP3A4NPSR1 | |
| SCHEMBL25835357 | 0.74 | CYP3A4 (0.42) | CYP3A4NPSR1KMT2ASMN1; SMN2 | |
| SCHEMBL18333256 | 0.72 | CYP3A4 (0.50) | CYP3A4NPSR1KMT2ASMN1; SMN2 |
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-2023136701-A1 | COMPOUND, METHOD FOR PREPARING SAME, AND SINGLE MOLECULE AND OLIGOMER DERIVED FROM SAME | 주식회사 엘지화학 | 2023-07-20 | — | — | WO | disclosed |