Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 14/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 9/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | MYC | P01106 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22080813 | 0.87 | ABCG2 (0.46) | ABCG2ABCB1ABCC1ADORA1ADORA2A | |
| SCHEMBL27277660 | 0.85 | MEN1 (0.39) | ADORA1ADORA2AMEN1ALDH1A1LMNA | |
| SCHEMBL24638645 | 0.85 | ABCG2 (0.44) | ABCG2ABCB1ABCC1MYCMEN1 | |
| SCHEMBL22080452 | 0.85 | ABCG2 (0.44) | ABCG2ABCB1ABCC1ADORA1ADORA2A | |
| SCHEMBL22080788 | 0.85 | ABCG2 (0.46) | ABCG2ABCB1ABCC1ADORA1ADORA2A | |
| SCHEMBL27275254 | 0.84 | MEN1 (0.50) | ADORA1ADORA2AMEN1ALDH1A1LMNA | |
| SCHEMBL22080463 | 0.84 | CYP1A2 (0.48) | ABCG2ADORA1ADORA2AMEN1ALDH1A1 | |
| SCHEMBL27275563 | 0.83 | SMN1; SMN2 (0.44) | ADORA1ADORA2AMEN1ALDH1A1LMNA | |
| SCHEMBL31642779 | 0.83 | ABCG2 (0.51) | ABCG2ABCB1ABCC1MYCGABRA1 | |
| SCHEMBL22080981 | 0.82 | CYP1A2 (0.47) | ABCG2ADORA1ADORA2AMEN1ALDH1A1 |
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-2024101948-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2024-05-16 | — | — | WO | disclosed |