Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28350054 | 0.77 | GRM2 (0.47) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL9043498 | 0.77 | EGFR (0.43) | ALDH1A1ALDH1A2ALDH1A3EGFRSETD7 | |
| SCHEMBL28349524 | 0.75 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2MAPTPKMTDP1 | |
| SCHEMBL3722137 | 0.74 | EGFR (0.51) | ALDH1A1EGFRMAPTSETD7CA1 | |
| SCHEMBL12263288 | 0.74 | SMN1; SMN2 (0.50) | ALDH1A1ALDH1A2ALDH1A3EGFRSMN1; SMN2 | |
| SCHEMBL9041238 | 0.74 | EGFR (0.44) | ALDH1A1EGFRMAPTSETD7CA1 | |
| SCHEMBL28350046 | 0.73 | KDM4E (0.41) | ALDH1A1SMN1; SMN2MAPTKDM4E | |
| SCHEMBL28882198 | 0.73 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL28350119 | 0.73 | PTGS2 (0.45) | ALDH1A1SMN1; SMN2PTGS1KDM4E | |
| SCHEMBL28346846 | 0.73 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT |
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 |