Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | EPHA2 | P29317 | 7/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL28392888 | 0.84 | ADRA2C (0.46) | ADRA2CCHEK1SLC6A2SLC6A4EPHA2 | |
| SCHEMBL28395688 | 0.82 | ADRA2C (0.41) | ADRA2CMEN1HTTKMT2AREN | |
| SCHEMBL28396220 | 0.82 | PKM (0.42) | ADRA2CMEN1ALDH1A1CYP1A2HPGD | |
| SCHEMBL28341717 | 0.82 | PKM (0.42) | ADRA2CMEN1ALDH1A1CYP1A2HPGD | |
| Morpholine SCHEMBL25272802 | 0.79 | MAPT (0.41) | MEN1ALDH1A1CYP1A2HPGDCYP2C19 | |
| SCHEMBL25271253 | 0.79 | ALDH1A1 (0.35) | MEN1ALDH1A1CYP1A2HPGDCYP2C19 | |
| SCHEMBL17922740 | 0.76 | ALDH1A1 (0.42) | MEN1ALDH1A1CYP1A2HPGDCYP2C19 | |
| SCHEMBL2163708 | 0.76 | ALDH1A1 (0.42) | MEN1ALDH1A1CYP1A2HPGDCYP2C19 | |
| SCHEMBL29375590 | 0.76 | MAPT (0.41) | MEN1ALDH1A1CYP1A2HPGDCYP2C19 | |
| SCHEMBL2164504 | 0.76 | MAPT (0.41) | MEN1ALDH1A1CYP1A2HPGDCYP2C19 |
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-110747489-B | Electroreduction preparation method of intermediate of anticancer drug gefitinib and analogue thereof | 湖南大学 | 2021-05-07 | — | — | CN | disclosed |
| CN-110747489-A | Electroreduction preparation method of intermediate of anticancer drug gefitinib and analogue thereof | 湖南大学 | 2020-02-04 | — | — | CN | disclosed |