Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.70 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL30656042 | 0.71 | ADORA2A (0.50) | ALDH1A1KDM4EL3MBTL1TDP1MAOB | |
| SCHEMBL18795836 | 0.71 | MAOA (0.58) | ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL245367 | 0.71 | KDM4E (0.61) | ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL11630733 | 0.68 | MAOA (0.58) | ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL30422091 | 0.67 | KDM4E (0.49) | ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL30422585 | 0.67 | KDM4E (0.49) | ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL6376517 | 0.67 | ALDH1A1 (0.50) | ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL6375232 | 0.67 | ALDH1A1 (0.49) | ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL2985023 | 0.67 | MAOB (1.00) | ALDH1A1KDM4EHPGDMAOAMAOB | |
| SCHEMBL20261932 | 0.66 | MAOA (0.50) | ALDH1A1KDM4EL3MBTL1CYP1A2CYP2C9 |
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-104649967-B | A kind of method that green catalysis prepares 2-amino-4-phenyl-6-(phenylsulfartyl)-3,5-dicyanopyridine derivative | 安徽工业大学 | 2016-08-24 | — | — | CN | disclosed |