Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29245250 | 0.93 | CYP3A4 (0.48) | CA2CYP3A4TSHRALDH1A1 | |
| SCHEMBL29245271 | 0.86 | CA2 (0.37) | CA2CYP3A4TSHRALDH1A1 | |
| SCHEMBL29245221 | 0.86 | CA2 (0.37) | CA2CYP3A4TSHRALDH1A1 | |
| SCHEMBL5603683 | 0.83 | CYP3A4 (0.52) | CA2CYP3A4TSHRALDH1A1 | |
| SCHEMBL29245276 | 0.81 | CYP3A4 (0.42) | CA2CYP3A4TSHRALDH1A1 | |
| SCHEMBL1009676 | 0.79 | CYP3A4 (0.50) | CYP3A4TSHRALDH1A1 | |
| SCHEMBL11908183 | 0.78 | CYP3A4 (0.42) | CA2CYP3A4TSHRALDH1A1 | |
| SCHEMBL22974759 | 0.76 | CYP3A4 (0.62) | CA2CYP3A4TSHRALDH1A1 | |
| SCHEMBL31050142 | 0.76 | CYP3A4 (0.62) | CA2CYP3A4TSHRALDH1A1 | |
| SCHEMBL29253487 | 0.76 | ALDH1A1 (0.38) | CYP3A4TSHRALDH1A1 |
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 |