Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.53 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28346751 | 0.80 | ALDH1A1 (0.60) | ALDH1A1CYP1A2KDM4EHSD17B10GLA | |
| SCHEMBL28882198 | 0.77 | ALDH1A1 (0.57) | ALDH1A1KDM4EGLAGAASMN1; SMN2 | |
| SCHEMBL30445600 | 0.72 | CYP2A6 (0.49) | ALDH1A1CYP2A6CYP2A13CYP11B2CYP3A4 | |
| SCHEMBL28349524 | 0.71 | ALDH1A1 (0.42) | ALDH1A1CYP2A6CYP11B2KDM4EGAA | |
| SCHEMBL28346750 | 0.71 | LRRK2 (0.37) | ALDH1A1CYP2A6CYP3A4KDM4EGAA | |
| SCHEMBL30577111 | 0.71 | CYP2A6 (0.60) | ALDH1A1CYP2A6CYP2A13CYP3A4CYP1A2 | |
| SCHEMBL28350046 | 0.70 | KDM4E (0.41) | ALDH1A1CYP11B2KDM4ESMN1; SMN2CYP2C9 | |
| SCHEMBL28346846 | 0.70 | ALDH1A1 (0.41) | ALDH1A1CYP11B2KDM4ETSHRHSD17B10 | |
| SCHEMBL28350119 | 0.70 | PTGS2 (0.45) | ALDH1A1CYP3A4CYP1A2KDM4ECYP2D6 | |
| Nicotyrine SCHEMBL2996756 | 0.69 | CYP2A6 (1.00) | ALDH1A1CYP2A6CYP2A13CYP3A4CYP1A2 |
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 |