Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 12/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21796050 | 1.00 | PDK2 (0.40) | PDK2ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL16755467 | 0.91 | PDK2 (0.42) | PDK2ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL16017144 | 0.88 | ALDH1A1 (0.45) | PDK2ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL29829158 | 0.88 | ALDH1A1 (0.45) | PDK2ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL31504664 | 0.88 | ALDH1A1 (0.45) | PDK2ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL13367457 | 0.87 | PDK2 (0.42) | PDK2ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL29407519 | 0.87 | PDK2 (0.42) | PDK2ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL23621143 | 0.87 | PDK2 (0.41) | PDK2ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL31695395 | 0.87 | PDK2 (0.41) | PDK2ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL13367405 | 0.87 | PDK2 (0.48) | PDK2APP |
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 |
|---|---|---|---|---|---|---|---|
| CN-110799485-B | Amine-based compound and organic light emitting device including the same | 株式会社LG化学 | 2022-11-04 | — | — | CN | disclosed |