Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 6/20 | 0.36 |
| ▸ | PPARA | Q07869 | 6/20 | 0.36 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31245664 | 0.95 | ALDH1A1 (0.39) | ALDH1A1MAPTPDK2PPARGPPARA | |
| SCHEMBL27012236 | 0.93 | PDK2 (0.39) | ALDH1A1MAPTPDK2PPARGPPARA | |
| SCHEMBL27012267 | 0.91 | ALDH1A1 (0.36) | ALDH1A1MAPTPDK2NTSR1MCL1 | |
| SCHEMBL29407519 | 0.91 | PDK2 (0.42) | ALDH1A1MAPTPDK2PPARGPPARA | |
| SCHEMBL13367457 | 0.91 | PDK2 (0.42) | ALDH1A1MAPTPDK2PPARGPPARA | |
| SCHEMBL16366120 | 0.90 | CA12 (0.42) | ALDH1A1MAPTPDK2PPARGPPARA | |
| SCHEMBL21386482 | 0.89 | PDK2 (0.44) | ALDH1A1MAPTPDK2PPARGPPARA | |
| SCHEMBL21726976 | 0.89 | ALDH1A1 (0.35) | ALDH1A1MAPTPDK2NTSR1MCL1 | |
| SCHEMBL19797541 | 0.89 | PDK2 (0.42) | PDK2APP | |
| SCHEMBL25568648 | 0.88 | PDK2 (0.40) | ALDH1A1MAPTPDK2PPARGPPARA |
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-2023096209-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF | 덕산네오룩스 주식회사 | 2023-06-01 | — | — | WO | disclosed |