Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 4/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17116616 | 0.85 | PPARG (0.43) | GRM5MAPKAPK2CLK4TGFBR1PPARG | |
| SCHEMBL2326256 | 0.82 | KDM1A (0.43) | ALDH1A1CYP2A6KDM4EL3MBTL1CCR1 | |
| SCHEMBL15104626 | 0.82 | NPY5R (0.53) | ALDH1A1GRM5MAPKAPK2KDM4ESMN1; SMN2 | |
| SCHEMBL21101647 | 0.82 | CCR1 (0.55) | ALDH1A1CYP2A6GRM5MAPKAPK2CCR1 | |
| SCHEMBL28908876 | 0.82 | MEN1 (0.40) | GRM5MAPKAPK2CLK4TGFBR1PPARG | |
| SCHEMBL17116566 | 0.82 | CLK4 (0.43) | ALDH1A1GRM5MAPKAPK2CLK4TGFBR1 | |
| SCHEMBL10202133 | 0.82 | MMP3 (0.52) | GRM5MAPKAPK2NPC1RAB9AL3MBTL1 | |
| SCHEMBL2949191 | 0.81 | ASIC3 (0.53) | ALDH1A1GRM5CLK4TGFBR1PIM1 | |
| SCHEMBL30158989 | 0.81 | ASIC3 (0.53) | ALDH1A1GRM5CLK4TGFBR1PIM1 | |
| SCHEMBL28524044 | 0.81 | MEN1 (0.54) | ALDH1A1MAPKAPK2KDM4ENPSR1NPC1 |
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-112409250-B | Direct aromatization process of cyanopyridine | 常州工程职业技术学院 | 2023-02-28 | — | — | CN | disclosed |
| CN-112409250-A | Direct aromatization process of cyanopyridine | 常州工程职业技术学院 | 2021-02-26 | — | — | CN | disclosed |