Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.82 |
| ▸ | ADORA1 | P30542 | 9/20 | 0.80 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.80 |
| ▸ | MEN1 | O00255 | 5/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.74 |
| ▸ | BLM | P54132 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 4/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.67 |
| ▸ | GLA | P06280 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.67 |
| ▸ | GFER | P55789 | 1/20 | 0.67 |
| ▸ | PIM1 | P11309 | 1/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | CASP1 | P29466 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL31139650 | 0.91 | KDM4E (0.81) | KDM4EALDH1A1ADORA1ADORA2AMEN1 | |
| SCHEMBL31139646 | 0.91 | KDM4E (0.68) | KDM4EALDH1A1ADORA1ADORA2AMEN1 | |
| SCHEMBL31139639 | 0.91 | KDM4E (0.68) | KDM4EALDH1A1ADORA1ADORA2AMEN1 | |
| SCHEMBL31139638 | 0.90 | ADORA1 (0.76) | KDM4EALDH1A1ADORA1ADORA2AMEN1 | |
| SCHEMBL31139636 | 0.89 | ADORA2A (0.79) | KDM4EALDH1A1ADORA1ADORA2AMEN1 | |
| SCHEMBL31139647 | 0.89 | ADORA1 (1.00) | KDM4EALDH1A1ADORA1ADORA2AMEN1 | |
| SCHEMBL31139658 | 0.87 | ADORA1 (0.91) | KDM4EALDH1A1ADORA1ADORA2AMEN1 | |
| SCHEMBL6251700 | 0.84 | MEN1 (1.00) | KDM4EALDH1A1ADORA1ADORA2AMEN1 | |
| SCHEMBL31139643 | 0.82 | ADORA2A (0.88) | KDM4EALDH1A1ADORA1ADORA2AMEN1 | |
| SCHEMBL31139644 | 0.81 | ADORA1 (0.85) | KDM4EALDH1A1ADORA1ADORA2AMEN1 |
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-118697736-A | New application of 2-amino nicotinonitrile compound, salt thereof and composition thereof in preparing medicines for treating infant hand-foot-mouth disease | 扬州大学 | 2024-09-27 | — | — | CN | disclosed |
| CN-102838536-A | 3-cyanopyridine derivative and preparation as well as application thereof | INST CHEM IND FOREST PROD CAF | 2012-12-26 | — | — | CN | disclosed |