Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | TOP2A | P11388 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28443055 | 0.93 | KDM4E (0.54) | KDM4EALDH1A1LMNAHSD17B10L3MBTL1 | |
| SCHEMBL28443132 | 0.90 | MAPT (0.46) | KDM4EALDH1A1LMNAHSD17B10L3MBTL1 | |
| SCHEMBL28451603 | 0.90 | ALDH1A1 (0.43) | KDM4EALDH1A1LMNAHSD17B10L3MBTL1 | |
| SCHEMBL28445463 | 0.90 | ALDH1A1 (0.43) | KDM4EALDH1A1LMNAHSD17B10L3MBTL1 | |
| SCHEMBL28449800 | 0.85 | HDAC6 (0.64) | KDM4EALDH1A1HSD17B10L3MBTL1HDAC6 | |
| SCHEMBL28451716 | 0.84 | KDM4E (0.48) | KDM4EALDH1A1LMNAHSD17B10L3MBTL1 | |
| SCHEMBL28443100 | 0.83 | KDM4E (0.44) | KDM4EALDH1A1LMNAHSD17B10L3MBTL1 | |
| SCHEMBL28454187 | 0.83 | KDM4E (0.44) | KDM4EALDH1A1LMNAHSD17B10L3MBTL1 | |
| SCHEMBL28445422 | 0.83 | KDM4E (0.44) | KDM4EALDH1A1LMNAHSD17B10L3MBTL1 | |
| SCHEMBL28455008 | 0.77 | HDAC6 (0.68) | KDM4EALDH1A1HSD17B10L3MBTL1HDAC6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108997230-B | Quinoxaline derivative with matrix metalloproteinase inhibitory activity, preparation method and application thereof | 山东大学 | 2020-08-04 | — | — | CN | claimed |
| CN-108997230-B | Quinoxaline derivative with matrix metalloproteinase inhibitory activity, preparation method and application thereof | 山东大学 | 2020-08-04 | — | — | CN | disclosed |