Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 3/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 6/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.30 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23137765 | 0.90 | PDK2 (0.41) | PDK2ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL19743220 | 0.90 | PDK2 (0.41) | PDK2CYP11B1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL31058374 | 0.90 | PDK2 (0.41) | PDK2ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL27012236 | 0.84 | PDK2 (0.39) | PDK2ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL26006833 | 0.84 | PDK2 (0.43) | PDK2ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL23822430 | 0.83 | PDK2 (0.41) | PDK2CYP11B1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL23621143 | 0.83 | PDK2 (0.41) | PDK2ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL31695395 | 0.83 | PDK2 (0.41) | PDK2ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL20935760 | 0.83 | PDK2 (0.46) | PDK2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL29440300 | 0.83 | PDK2 (0.49) | PDK2ALDH1A1BRD4MAPTMEN1 |
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-2021054714-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 엘티소재주식회사 | 2021-03-25 | — | — | WO | disclosed |