Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 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 | |
|---|---|---|---|---|
| SCHEMBL31222429 | 1.00 | CYP2A6 (0.50) | CYP2A6ALDH1A1CYP1A2HSD17B10TSHR | |
| SCHEMBL31222433 | 0.83 | HSD17B10 (0.56) | CYP2A6ALDH1A1CYP1A2HSD17B10TSHR | |
| SCHEMBL24372659 | 0.83 | HSD17B10 (0.56) | CYP2A6ALDH1A1CYP1A2HSD17B10TSHR | |
| SCHEMBL24655507 | 0.83 | ALDH1A1 (0.50) | CYP2A6ALDH1A1CYP1A2HSD17B10TSHR | |
| SCHEMBL31222435 | 0.83 | ALDH1A1 (0.50) | CYP2A6ALDH1A1CYP1A2HSD17B10TSHR | |
| SCHEMBL22211948 | 0.81 | CYP1A2 (0.64) | CYP2A6ALDH1A1CYP1A2HSD17B10TSHR | |
| SCHEMBL30887598 | 0.81 | CYP1A2 (0.64) | CYP2A6ALDH1A1CYP1A2HSD17B10TSHR | |
| SCHEMBL24156128 | 0.79 | AHR (0.46) | CYP2A6CYP1A2TDP1L3MBTL1MAPT | |
| SCHEMBL22650690 | 0.79 | CYP2A6 (0.42) | CYP2A6ALDH1A1CYP1A2HSD17B10TSHR | |
| SCHEMBL24066459 | 0.78 | CYP2A6 (0.50) | CYP2A6ALDH1A1CYP1A2HSD17B10TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4243100-A1 | ORGANIC LIGHT-EMITTING DEVICE | Lg Chem, Ltd. (KR) | 2023-09-13 | — | — | EP | disclosed |
| WO-2023003146-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2023-01-26 | — | — | WO | disclosed |
| WO-2023003146-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2023-01-26 | — | — | WO | disclosed |
| WO-2022177374-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2022-08-25 | — | — | WO | disclosed |