Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | GAA | P10253 | 2/20 | 0.68 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.52 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.48 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16197958 | 0.85 | KDM4E (0.72) | KDM4EALDH1A1GAAMAPTMEN1 | |
| SCHEMBL31235692 | 0.81 | LRRK2 (0.50) | KDM4EALDH1A1GAASMN1; SMN2LRRK2 | |
| SCHEMBL28606998 | 0.81 | LRRK2 (0.50) | KDM4EALDH1A1GAASMN1; SMN2LRRK2 | |
| SCHEMBL31263735 | 0.81 | GAA (0.54) | KDM4EALDH1A1GAAMAPTMEN1 | |
| SCHEMBL13610402 | 0.81 | GAA (1.00) | KDM4EALDH1A1GAAMAPTMEN1 | |
| SCHEMBL4193660 | 0.81 | GAA (0.54) | KDM4EALDH1A1GAAMAPTMEN1 | |
| SCHEMBL6067901 | 0.81 | KDM4E (0.63) | KDM4EALDH1A1GAAMAPTMEN1 | |
| SCHEMBL29642859 | 0.81 | GAA (1.00) | KDM4EALDH1A1GAAMAPTMEN1 | |
| SCHEMBL15681337 | 0.81 | KDM4E (0.54) | KDM4EALDH1A1GAAMAPTMEN1 | |
| SCHEMBL5645453 | 0.81 | ALDH1A1 (0.66) | KDM4EALDH1A1GAAMAPTMEN1 |
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-106431989-B | The aminated compounds and its preparation method and application of N- halogenated aryls substitution | 云南大学 | 2018-10-16 | — | — | CN | disclosed |