Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CUL4A | Q13619 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15558979 | 0.74 | CUL4A (0.40) | CUL4AKDM4EALDH1A1GLAPOLB | |
| SCHEMBL12778112 | 0.74 | DYRK1A (0.41) | KDM4EALDH1A1GAADYRK1ACLK1 | |
| SCHEMBL29361472 | 0.73 | TSHR (0.41) | KDM4EALDH1A1POLBGAAHPGD | |
| SCHEMBL7848657 | 0.73 | NR3C1 (0.38) | KDM4EALDH1A1GAABCAT1DYRK1A | |
| SCHEMBL15451009 | 0.73 | TSHR (0.41) | KDM4EALDH1A1POLBGAAHPGD | |
| SCHEMBL15971177 | 0.72 | KDM5A (0.40) | KDM4EALDH1A1GLAPOLBGAA | |
| SCHEMBL8303053 | 0.70 | NR3C1 (0.42) | KDM4EALDH1A1GLAPOLBGAA | |
| SCHEMBL23676495 | 0.69 | DYRK1A (0.36) | KDM4EALDH1A1POLBHPGDDYRK1A | |
| SCHEMBL12755314 | 0.69 | NR3C1 (0.39) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL31537986 | 0.69 | CYP2A6 (0.47) | KDM4EALDH1A1GAADYRK1ACLK1 |
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-105051037-B | Sphingosine-1-phosphate receptor agonists, method for the preparation thereof and pharmaceutical compositions comprising the same as active agent | LG化学株式会社 | 2018-05-18 | — | — | CN | disclosed |