Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL575712 | 0.85 | HSD17B1 (0.41) | HSD17B1HSD17B2TNKS2ALDH1A1HSD17B10 | |
| SCHEMBL575887 | 0.85 | HSD17B1 (0.41) | HSD17B1HSD17B2TNKS2ALDH1A1HSD17B10 | |
| SCHEMBL23106363 | 0.83 | ADORA2A (0.40) | HDAC1HDAC8HDAC6ADORA2AADORA1 | |
| SCHEMBL23957909 | 0.83 | ALOX5 (0.46) | HDAC1HDAC8HDAC6ADORA2AADORA1 | |
| SCHEMBL8401048 | 0.83 | ALDH1A1 (0.41) | ALDH1A1HSD17B10MAPTHPGDUSP2 | |
| SCHEMBL18594367 | 0.79 | ALDH1A1 (0.43) | HDAC1HDAC8HDAC6ADORA2AADORA1 | |
| SCHEMBL3789297 | 0.78 | MAPT (0.57) | HDAC1HDAC8HDAC6ALDH1A1HSD17B10 | |
| SCHEMBL18966731 | 0.78 | HDAC1 (0.40) | HDAC1HDAC8HDAC6ADORA2AADORA1 | |
| SCHEMBL13906299 | 0.77 | KIF11 (0.48) | ALDH1A1HSD17B10KDM4ELMNAMAPT | |
| SCHEMBL3364762 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HSD17B10GAAKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3342774-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG Chem, Ltd. (KR) | 2018-07-04 | — | — | EP | disclosed |