Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | STAT6 | P42226 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17054088 | 1.00 | CYP1A2 (0.60) | CYP1A2ALDH1A1KDM4ETSHRMAPT | |
| SCHEMBL9583756 | 0.84 | ACHE (0.56) | CYP1A2ALDH1A1KDM4ETSHRMAPK1 | |
| SCHEMBL17054083 | 0.83 | KDM4E (0.44) | CYP1A2ALDH1A1KDM4ETSHRMAPT | |
| SCHEMBL28773717 | 0.81 | GRM2 (0.50) | CYP1A2ALDH1A1KDM4ETSHRACHE | |
| SCHEMBL28773728 | 0.81 | GRM2 (0.47) | CYP1A2ALDH1A1KDM4ETSHRACHE | |
| SCHEMBL29661946 | 0.81 | GRM2 (0.47) | CYP1A2ALDH1A1KDM4ETSHRACHE | |
| SCHEMBL17054103 | 0.79 | KDM4E (0.37) | CYP1A2ALDH1A1KDM4ETSHRMAPT | |
| SCHEMBL17054196 | 0.79 | CYP1A2 (0.37) | CYP1A2ALDH1A1KDM4ETSHRMAPT | |
| SCHEMBL17054100 | 0.79 | KDM4E (0.50) | CYP1A2ALDH1A1KDM4ETSHRMAPT | |
| SCHEMBL29661841 | 0.79 | GRM2 (0.39) | CYP1A2ALDH1A1KDM4ETSHR |
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-110117246-B | Preparation method of 3-position indolylated cyclohexenone compound | 山西大学 | 2022-05-31 | — | — | CN | disclosed |