Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28882198 | 0.96 | ALDH1A1 (0.57) | ALDH1A1KDM4ESMN1; SMN2MAPK1GRM2 | |
| SCHEMBL28349524 | 0.83 | ALDH1A1 (0.42) | ALDH1A1KDM4ESMN1; SMN2GAAMEN1 | |
| SCHEMBL28346846 | 0.81 | ALDH1A1 (0.41) | ALDH1A1KDM4ESMN1; SMN2MAPK1GRM2 | |
| SCHEMBL28350046 | 0.81 | KDM4E (0.41) | ALDH1A1KDM4ESMN1; SMN2GRM2LMNA | |
| SCHEMBL28350119 | 0.81 | PTGS2 (0.45) | ALDH1A1KDM4ESMN1; SMN2GAAPOLB | |
| SCHEMBL28350239 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4ESMN1; SMN2MAPK1GLA | |
| SCHEMBL28350054 | 0.79 | GRM2 (0.47) | ALDH1A1KDM4ESMN1; SMN2GRM2GAA | |
| SCHEMBL28346775 | 0.78 | KIF11 (0.47) | ALDH1A1KDM4ESMN1; SMN2GRM2 | |
| SCHEMBL28549036 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2MAPK1GLA | |
| SCHEMBL16793353 | 0.75 | ALDH1A1 (1.00) | ALDH1A1KDM4ESMN1; SMN2MAPK1GRM2 |
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-110746336-B | Green preparation method of N-methyl-2-cyano-3-arylpyrrole compound | 湖南科技学院 | 2021-05-07 | — | — | CN | disclosed |
| CN-110746336-A | Green preparation method of N-methyl-2-cyano-3-arylpyrrole compound | 湖南科技学院 | 2020-02-04 | — | — | CN | disclosed |