Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 14/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 8/20 | 0.53 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.47 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15308223 | 1.00 | ABCG2 (0.53) | ABCG2ABCB1ABCC1ALDH1A3GABRA1 | |
| SCHEMBL21849411 | 1.00 | ABCG2 (0.53) | ABCG2ABCB1ABCC1ALDH1A3GABRA1 | |
| SCHEMBL21849416 | 0.98 | ABCG2 (0.54) | ABCG2ABCB1ABCC1ALDH1A3GABRA1 | |
| SCHEMBL29450769 | 0.98 | ABCG2 (0.54) | ABCG2ABCB1ABCC1ALDH1A3GABRA1 | |
| SCHEMBL26179644 | 0.94 | ABCG2 (0.51) | ABCG2ABCB1ABCC1ALDH1A3GABRA1 | |
| SCHEMBL26179643 | 0.94 | ABCG2 (0.51) | ABCG2ABCB1ABCC1ALDH1A3GABRA1 | |
| Benzonitrile SCHEMBL25236472 | 0.93 | TSHR (0.52) | ABCG2ABCB1ABCC1TSHRMEN1 | |
| SCHEMBL21849412 | 0.92 | ABCG2 (0.50) | ABCG2ABCB1ABCC1ALDH1A3GABRA1 | |
| SCHEMBL29385966 | 0.92 | ABCG2 (0.50) | ABCG2ABCB1ABCC1ALDH1A3GABRA1 | |
| SCHEMBL31424086 | 0.92 | ABCG2 (0.50) | ABCG2ABCB1ABCC1ALDH1A3GABRA1 |
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-119684222-A | Novel compound and organic light emitting device comprising the same | 株式会社LG化学 | 2025-03-25 | — | — | CN | disclosed |
| CN-118459415-A | Heterocyclic compound, light-emitting device, electronic apparatus, and electronic device | 三星显示有限公司 | 2024-08-09 | — | — | CN | disclosed |