Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 7/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | GSR | P00390 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL28350119 | 0.81 | PTGS2 (0.45) | ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL28349524 | 0.80 | ALDH1A1 (0.42) | CYP11B2ALDH1A1SMN1; SMN2KDM4EAR | |
| SCHEMBL28350046 | 0.78 | KDM4E (0.41) | CYP11B2ALDH1A1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL28882198 | 0.78 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2KDM4EGRM2 | |
| SCHEMBL28346846 | 0.78 | ALDH1A1 (0.41) | CYP11B2ALDH1A1SMN1; SMN2KDM4EAR | |
| SCHEMBL28346751 | 0.78 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2KDM4EGRM2 | |
| SCHEMBL28350054 | 0.75 | GRM2 (0.47) | ALDH1A1SMN1; SMN2KDM4EMAPTGRM2 | |
| SCHEMBL10590121 | 0.72 | KIF11 (0.45) | KIF11CYP11B2ARCTSSCTSK | |
| SCHEMBL28346773 | 0.72 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2KDM4EARMAPT | |
| SCHEMBL28346750 | 0.69 | LRRK2 (0.37) | ALDH1A1SMN1; SMN2KDM4E |
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 |