Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.30 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.30 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29245259 | 0.81 | CYP3A4 (0.41) | CYP3A4TSHRCA2 | |
| SCHEMBL9642298 | 0.81 | LPAR3 (0.46) | CYP3A4TSHRCA2LPAR3LPAR1 | |
| SCHEMBL31050167 | 0.81 | CYP3A4 (0.41) | CYP3A4TSHRCA2 | |
| SCHEMBL31050134 | 0.81 | CYP3A4 (0.41) | CYP3A4TSHRCA2 | |
| SCHEMBL21291936 | 0.81 | LPAR3 (0.46) | CYP3A4TSHRCA2LPAR3LPAR1 | |
| SCHEMBL14332279 | 0.81 | LPAR3 (0.46) | CYP3A4TSHRCA2LPAR3LPAR1 | |
| SCHEMBL20213370 | 0.81 | TSHR (0.41) | CYP3A4TSHRCA2ALDH1A1LPAR3 | |
| SCHEMBL31050161 | 0.81 | CYP3A4 (0.41) | CYP3A4TSHRCA2 | |
| SCHEMBL20213334 | 0.81 | TSHR (0.41) | CYP3A4TSHRCA2ALDH1A1LPAR3 | |
| SCHEMBL29245200 | 0.81 | CYP3A4 (0.41) | CYP3A4TSHRCA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118056309-A | Flame-retardant nonaqueous electrolyte and secondary battery using same | 国立大学法人京都大学 | 2024-05-17 | — | — | CN | disclosed |