Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 6/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8794978 | 0.71 | KDM4E (0.62) | ALDH1A1KDM4EMAPTHSD17B10GAA | |
| SCHEMBL8985827 | 0.69 | KDM4E (0.60) | ALDH1A1KDM4EMAPTHSD17B10ABCG2 | |
| SCHEMBL30149138 | 0.69 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTHSD17B10ABCG2 | |
| SCHEMBL14174307 | 0.69 | ALDH1A1 (0.43) | ALDH1A1KDM4EMAPTHSD17B10GAA | |
| SCHEMBL30688567 | 0.68 | NR4A2 (0.60) | ALDH1A1KDM4EMAPTHSD17B10GAA | |
| SCHEMBL24189144 | 0.67 | KDM4E (0.53) | ALDH1A1KDM4EMAPTHSD17B10ABCG2 | |
| SCHEMBL5794468 | 0.67 | GPR17 (0.42) | ALDH1A1KDM4EMAPTHSD17B10HPGD | |
| SCHEMBL17374993 | 0.67 | KMT2A (0.49) | ALDH1A1KDM4EHSD17B10POLBKMT2A | |
| SCHEMBL30580683 | 0.66 | KDM4E (0.54) | ALDH1A1KDM4EMAPTHSD17B10HPGD | |
| SCHEMBL29613830 | 0.66 | ALDH1A1 (0.56) | ALDH1A1KDM4EMAPTHSD17B10ABCG2 |
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-111825594-B | (Z) -beta-trifluoromethyl dehydrotryptophan compound and synthetic method and application thereof | 商丘师范学院 | 2022-03-29 | — | — | CN | disclosed |