Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23020471 | 0.84 | ABCG2 (0.43) | MYCABCG2ABCB1ALDH1A3GABRA1 | |
| SCHEMBL23020107 | 0.84 | ABCG2 (0.43) | MYCABCG2ABCB1ALDH1A3GABRA1 | |
| SCHEMBL26772404 | 0.78 | GP6 (0.32) | KMT2AATMMEN1ALDH1A1LMNA | |
| SCHEMBL23020115 | 0.78 | CYP1A2 (0.43) | ABCG2ABCB1KMT2AMEN1ALDH1A1 | |
| SCHEMBL23020483 | 0.78 | CYP1A2 (0.43) | ABCG2ABCB1KMT2AMEN1ALDH1A1 | |
| SCHEMBL23616596 | 0.78 | PTPN5 (0.36) | MYCALDH1A3GABRA1GABRG2GABRB3 | |
| SCHEMBL23986162 | 0.78 | MEN1 (0.38) | KMT2AMEN1ALDH1A1MAPK1LMNA | |
| SCHEMBL22664865 | 0.78 | MEN1 (0.38) | KMT2AMEN1ALDH1A1MAPK1LMNA | |
| SCHEMBL25775739 | 0.77 | ABCG2 (0.34) | MYCABCG2ABCB1KMT2ASLC6A2 | |
| SCHEMBL22074512 | 0.77 | CYP1A1 (0.42) | CYP1A1CYP1B1KMT2AMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3392242-B1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | LG CHEMICAL LTD (KR) | 2021-02-24 | — | — | EP | disclosed |