Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GCGR | P47871 | 2/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | IKBKE | Q14164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9188746 | 0.87 | HDAC1 (0.53) | HDAC1HDAC6ALDH1A1MAPK1CCNB2 | |
| Pyridine SCHEMBL28139351 | 0.85 | CYP3A4 (0.45) | HDAC1HDAC6CDC7IKBKETBK1 | |
| Pyridine SCHEMBL28547162 | 0.83 | CYP3A4 (0.44) | HDAC1HDAC6CDC7IKBKETBK1 | |
| SCHEMBL1192472 | 0.78 | PDPK1 (0.46) | HDAC1HDAC6MAPK1GCGRMAPK14 | |
| Pyridine SCHEMBL28186815 | 0.78 | ASIC3 (0.50) | HDAC1HDAC6IKBKETBK1 | |
| Pyridine SCHEMBL28326371 | 0.78 | SCN4A (0.47) | MAPK1GCGRMAPK14MAPK13MAPK12 | |
| Piperazine SCHEMBL28108913 | 0.78 | HDAC1 (0.46) | HDAC1HDAC6ALDH1A1MAPK1CCNB2 | |
| Pyridine SCHEMBL28840222 | 0.78 | NPY5R (0.35) | HDAC1HDAC6GCGRMAPK14MAPK13 | |
| Pyridine SCHEMBL28128885 | 0.78 | HDAC1 (0.35) | HDAC1HDAC6GCGRMAPK14GSK3A | |
| SCHEMBL9419852 | 0.76 | HDAC6 (0.57) | HDAC1HDAC6KDM4C |
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-109309166-A | Organic electroluminescence device and contain 2,6,9,10- quaternary anthracene compounds | 北京鼎材科技有限公司 | 2019-02-05 | — | — | CN | disclosed |