Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 13/20 | 0.60 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.60 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.53 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.53 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.53 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.53 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.53 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.53 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MYC | P01106 | 1/20 | 0.49 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL22106575 | 1.00 | ABCG2 (0.60) | ABCG2ABCB1CYP11B2GABRA1GABRG2 | |
| SCHEMBL20396079 | 1.00 | ABCG2 (0.60) | ABCG2ABCB1CYP11B2GABRA1GABRG2 | |
| SCHEMBL19939304 | 1.00 | ABCG2 (0.60) | ABCG2ABCB1CYP11B2GABRA1GABRG2 | |
| SCHEMBL22883053 | 1.00 | ABCG2 (0.60) | ABCG2ABCB1CYP11B2GABRA1GABRG2 | |
| SCHEMBL23384091 | 1.00 | ABCG2 (0.60) | ABCG2ABCB1CYP11B2GABRA1GABRG2 | |
| SCHEMBL23383904 | 1.00 | ABCG2 (0.60) | ABCG2ABCB1CYP11B2GABRA1GABRG2 | |
| SCHEMBL19939303 | 1.00 | ABCG2 (0.60) | ABCG2ABCB1CYP11B2GABRA1GABRG2 | |
| SCHEMBL23383850 | 1.00 | ABCG2 (0.60) | ABCG2ABCB1CYP11B2GABRA1GABRG2 | |
| SCHEMBL31663591 | 0.98 | ABCG2 (0.62) | ABCG2ABCB1CYP11B2GABRA1GABRG2 | |
| SCHEMBL22414164 | 0.94 | ABCG2 (0.59) | ABCG2ABCB1CYP11B2GABRA1GABRG2 |
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-2020166825-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME | 주식회사 엘지화학 | 2020-08-20 | — | — | WO | disclosed |