Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.34 |
| ▸ | STK10 | O94804 | 2/20 | 0.34 |
| ▸ | SLK | Q9H2G2 | 2/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18818876 | 0.91 | NPC1 (0.44) | ALDH1A3NPC1RAB9AGABRG2GABRB3 | |
| SCHEMBL22056442 | 0.90 | MEN1 (0.38) | ALDH1A3NPC1RAB9AGABRG2GABRB3 | |
| SCHEMBL18818884 | 0.87 | PDK2 (0.37) | NPC1RAB9APDK2STK10SLK | |
| SCHEMBL21160198 | 0.85 | NPC1 (0.39) | ALDH1A3NPC1RAB9AGABRG2GABRB3 | |
| SCHEMBL18818885 | 0.85 | ESR2 (0.39) | NPC1RAB9AGABRG2GABRB3GABRA5 | |
| SCHEMBL18819308 | 0.84 | CYP19A1 (0.37) | ALDH1A3NPC1RAB9AGABRG2GABRB3 | |
| SCHEMBL18818816 | 0.83 | P2RX7 (0.35) | ADRA2C | |
| SCHEMBL27364755 | 0.82 | NPC1 (0.41) | ALDH1A3NPC1RAB9AGABRG2GABRB3 | |
| SCHEMBL22056435 | 0.82 | NPC1 (0.42) | ALDH1A3NPC1RAB9AGABRG2GABRB3 | |
| SCHEMBL18818875 | 0.81 | PDK2 (0.32) | PDK2PGR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017074053-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2017-05-04 | — | — | WO | disclosed |
| WO-2017074052-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2017-05-04 | — | — | WO | disclosed |