Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 12/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 8/20 | 0.46 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31643465 | 0.97 | ABCG2 (0.46) | ABCG2ABCB1ABCC1GABRA1GABRG2 | |
| SCHEMBL31643260 | 0.97 | ABCG2 (0.46) | ABCG2ABCB1ABCC1GABRA1GABRG2 | |
| SCHEMBL27368548 | 0.97 | ABCG2 (0.48) | ABCG2ABCB1ABCC1GABRA1GABRG2 | |
| SCHEMBL27368459 | 0.96 | ABCG2 (0.45) | ABCG2ABCB1ABCC1GABRA1GABRG2 | |
| SCHEMBL31643072 | 0.95 | ABCG2 (0.48) | ABCG2ABCB1ABCC1GABRA1GABRG2 | |
| SCHEMBL27453377 | 0.95 | ABCG2 (0.50) | ABCG2ABCB1ABCC1GABRA1GABRG2 | |
| SCHEMBL27368621 | 0.95 | ABCG2 (0.50) | ABCG2ABCB1ABCC1GABRA1GABRG2 | |
| SCHEMBL25776705 | 0.94 | ABCG2 (0.45) | ABCG2ABCB1ABCC1GABRA1GABRG2 | |
| SCHEMBL26277122 | 0.94 | ABCG2 (0.45) | ABCG2ABCB1ABCC1GABRA1GABRG2 | |
| SCHEMBL31643590 | 0.93 | ABCG2 (0.47) | ABCG2ABCB1ABCC1GABRA1GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4400501-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | LG Chem, Ltd. (KR) | 2024-07-17 | — | — | EP | disclosed |
| WO-2024053991-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2024-03-14 | — | — | WO | disclosed |