Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.54 |
| ▸ | KDM1A | O60341 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | KDM4B | O94953 | 1/20 | 0.51 |
| ▸ | KDM5C | P41229 | 1/20 | 0.51 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.49 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.44 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30775014 | 0.85 | KDM4C (0.64) | KDM1AHDAC1KDM4BKDM5CKDM5B | |
| SCHEMBL28907344 | 0.85 | KDM4B (0.56) | MAP4K4KDM4BKDM5CKDM5BKDM4C | |
| SCHEMBL29932888 | 0.85 | MAP4K4 (0.55) | MAP4K4KDM1AHDAC1KDM4BKDM5C | |
| SCHEMBL28856057 | 0.83 | MAP4K4 (0.54) | MAP4K4KDM4BKDM5CKDM5BKDM4C | |
| SCHEMBL1758188 | 0.83 | MAP4K4 (0.57) | MAP4K4KDM4BKDM5CKDM5BKDM4C | |
| SCHEMBL1592852 | 0.83 | KDM4B (0.58) | MAP4K4KDM4BKDM5CKDM5BCHEK2 | |
| SCHEMBL946431 | 0.83 | ASIC3 (0.55) | MAP4K4KDM4BKDM5CKDM5BKDM4C | |
| SCHEMBL1758345 | 0.83 | MAP4K4 (0.54) | MAP4K4KDM4BKDM5CKDM5BCHEK2 | |
| SCHEMBL1758387 | 0.83 | KDM5B (0.52) | MAP4K4KDM1AHDAC1KDM4BKDM5C | |
| SCHEMBL1758329 | 0.83 | KDM1A (0.55) | MAP4K4KDM1AHDAC1KDM4BKDM5C |
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-113444038-B | 2-aryl isonicotinic acid amide LSD1/HDAC double-target inhibitor, and preparation method and application thereof | 新乡医学院 | 2022-09-27 | — | — | CN | disclosed |