Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 1/20 | 0.46 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | GRK6 | P43250 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28156837 | 0.83 | MYC (0.45) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL28826828 | 0.79 | POLB (0.51) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL28134011 | 0.78 | BCAT2 (0.46) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL4138458 | 0.78 | MYC (0.72) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL27679725 | 0.74 | BCAT2 (0.45) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL28522305 | 0.73 | MYC (0.56) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL1788703 | 0.72 | BCAT2 (0.59) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL21590178 | 0.71 | MYC (0.57) | MYCBCAT2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL30514077 | 0.71 | BCAT2 (0.74) | BCAT2KEAP1NFE2L2ALDH1A1MAPT | |
| SCHEMBL210767 | 0.71 | BCAT2 (0.74) | BCAT2KEAP1NFE2L2ALDH1A1MAPT |
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-105531268-B | Noval chemical compound and its pharmaceutical composition for treating cystic fibrosis | 加拉佩格斯股份有限公司 | 2017-09-12 | — | — | CN | disclosed |
| CN-105531268-A | Novel compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis | GALAPAGOS NV | 2016-04-27 | — | — | CN | disclosed |