Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 10/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24371681 | 0.90 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP3A4HPGDPDK2 | |
| SCHEMBL24371626 | 0.90 | PDK2 (0.43) | ALDH1A1HSD17B10CYP3A4HPGDPDK2 | |
| SCHEMBL29658026 | 0.87 | PDK2 (0.47) | ALDH1A1HSD17B10PDK2ALOX12L3MBTL1 | |
| SCHEMBL12383000 | 0.87 | PDK2 (0.47) | ALDH1A1HSD17B10PDK2ALOX12L3MBTL1 | |
| SCHEMBL19979022 | 0.87 | PDK2 (0.47) | ALDH1A1HSD17B10CYP3A4HPGDPDK2 | |
| SCHEMBL17740519 | 0.84 | PDK2 (0.47) | PDK2L3MBTL1MAPTHTTMEN1 | |
| SCHEMBL17854637 | 0.83 | PDK2 (0.44) | ALDH1A1PDK2MAPTMEN1KMT2A | |
| SCHEMBL24371935 | 0.83 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CYP3A4HPGDPDK2 | |
| SCHEMBL22688448 | 0.83 | ALDH1A1 (0.40) | ALDH1A1PDK2MAPK1 | |
| SCHEMBL16017141 | 0.83 | ALDH1A1 (0.46) | ALDH1A1HSD17B10CYP3A4HPGDPDK2 |
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-2016175533-A2 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME | 덕산네오룩스 주식회사 | 2016-11-03 | — | — | WO | disclosed |