Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.37 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | TOP2A | P11388 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | IDH2 | P48735 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL97412 | 0.71 | ERN1 (0.51) | ERN1PTPRCCYP2A6CYP2B6CYP2E1 | |
| SCHEMBL4233553 | 0.71 | PABPC1 (0.50) | PABPC1KDM5ACYP2C9MEN1MAPT | |
| SCHEMBL205589 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28129529 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL28324352 | 0.66 | ALDH1A1 (0.44) | ERN1MEN1MAPTKMT2A | |
| SCHEMBL2292418 | 0.64 | ALDH1A1 (0.49) | PABPC1CYP2C9MEN1MAPTKMT2A | |
| SCHEMBL28166832 | 0.64 | PABPC1 (0.52) | PABPC1CYP2C9MEN1MAPTKMT2A | |
| SCHEMBL2011546 | 0.63 | KCNH2 (0.57) | PTPRCCYP2A6CYP2B6CYP2E1TDO2 | |
| SCHEMBL277051 | 0.63 | PELI1 (0.50) | ERN1PTPRCCYP2A6CYP2B6CYP2E1 | |
| SCHEMBL5642281 | 0.63 | SLC6A3 (0.42) | PABPC1PTPRCMAOBCYP2C9MEN1 |
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-109456216-A | A kind of no catalyst is reacted without aromatic amine under the conditions of promotor with the amine that turns of amide derivatives | 湘潭大学 | 2019-03-12 | — | — | CN | disclosed |