Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 8/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.31 |
| ▸ | MARK3 | P27448 | 1/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25036035 | 0.96 | ABCG2 (0.36) | ABCG2ABCB1KDM1ACYP11B1CYP11B2 | |
| SCHEMBL25038370 | 0.92 | ABCG2 (0.34) | ABCG2ABCB1KDM1AABCC1ALDH1A1 | |
| SCHEMBL25036140 | 0.91 | ADORA2A (0.35) | ABCG2KDM1ACYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL25037887 | 0.91 | ABCG2 (0.37) | ABCG2ABCB1KDM1AABCC1GABRA1 | |
| SCHEMBL25036142 | 0.90 | ABCG2 (0.37) | ABCG2ABCB1CYP11B1CYP11B2ABCC1 | |
| SCHEMBL25038875 | 0.90 | CYP11B1 (0.36) | ABCG2CYP11B1CYP11B2ALDH1A1GABRA1 | |
| SCHEMBL25036078 | 0.90 | ABCG2 (0.35) | ABCG2ABCB1KDM1AABCC1ALDH1A1 | |
| SCHEMBL25038607 | 0.89 | ABCG2 (0.37) | ABCG2ABCB1ABCC1ALDH1A1GABRA1 | |
| SCHEMBL25038471 | 0.89 | CYP11B1 (0.34) | ABCG2CYP11B1CYP11B2ALDH1A1GABRA1 | |
| SCHEMBL25036060 | 0.89 | ABCG2 (0.36) | ABCG2ABCB1KDM1AABCC1ALDH1A1 |
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-2023018267-A1 | NOVEL COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2023-02-16 | — | — | WO | disclosed |