Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.31 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL6076550 | 0.81 | ALDH1A1 (0.34) | ALDH1A1HPGD | |
| SCHEMBL31634143 | 0.80 | ABCG2 (0.39) | ABCG2PKMTSHRHTR2A | |
| Cyanide SCHEMBL11277622 | 0.79 | ALDH1A1 (0.33) | ALDH1A1HPGD | |
| SCHEMBL19500892 | 0.77 | GABRA1 (0.38) | ABCG2PKMTSHR | |
| SCHEMBL28778284 | 0.77 | ABCG2 (0.37) | ABCG2 | |
| SCHEMBL7394171 | 0.77 | PNMT (0.40) | ABCG2 | |
| SCHEMBL30874548 | 0.77 | PNMT (0.40) | ABCG2 | |
| SCHEMBL28778285 | 0.77 | ABCG2 (0.37) | ABCG2 | |
| SCHEMBL26180986 | 0.77 | ABCG2 (0.37) | ABCG2 | |
| SCHEMBL4046832 | 0.77 | TRPA1 (0.37) | ABCG2ALDH1A1SIRT2SIRT1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-111848598-B | Heterocyclic compound, application thereof and composition containing same | 健艾仕生物医药有限公司 | 2024-12-10 | — | — | CN | disclosed |
| CN-114573490-B | Diaryl-2H-aziridine compounds, preparation method and application thereof | 复旦大学 | 2024-04-30 | — | — | CN | disclosed |