Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 5/20 | 1.00 |
| ▸ | ADORA2A | P29274 | 4/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.84 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.84 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.83 |
| ▸ | MEN1 | O00255 | 5/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.72 |
| ▸ | MAPT | P10636 | 4/20 | 0.72 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.72 |
| ▸ | GLA | P06280 | 1/20 | 0.72 |
| ▸ | GAA | P10253 | 1/20 | 0.72 |
| ▸ | GFER | P55789 | 1/20 | 0.72 |
| ▸ | BLM | P54132 | 1/20 | 0.71 |
| ▸ | HPGD | P15428 | 3/20 | 0.70 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.69 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.69 |
| ▸ | CASP1 | P29466 | 1/20 | 0.69 |
| ▸ | CASP7 | P55210 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL31139658 | 0.95 | ADORA1 (0.91) | ADORA1ADORA2AKDM4EALDH1A1TDP1 | |
| SCHEMBL31139643 | 0.94 | ADORA2A (0.88) | ADORA1ADORA2AKDM4EALDH1A1TDP1 | |
| SCHEMBL31139644 | 0.92 | ADORA1 (0.85) | ADORA1ADORA2AKDM4EALDH1A1TDP1 | |
| SCHEMBL31139656 | 0.91 | ADORA2A (0.83) | ADORA1ADORA2AKDM4EALDH1A1TDP1 | |
| SCHEMBL31139651 | 0.91 | ADORA2A (0.83) | ADORA1ADORA2AKDM4EALDH1A1TDP1 | |
| SCHEMBL31139657 | 0.91 | KDM4E (1.00) | ADORA1ADORA2AKDM4EALDH1A1TDP1 | |
| SCHEMBL27886242 | 0.89 | KDM4E (0.82) | ADORA1ADORA2AKDM4EALDH1A1TDP1 | |
| SCHEMBL31139636 | 0.88 | ADORA2A (0.79) | ADORA1ADORA2AKDM4EALDH1A1TDP1 | |
| SCHEMBL23059851 | 0.88 | ADORA1 (0.78) | ADORA1ADORA2AKDM4EALDH1A1TDP1 | |
| SCHEMBL6251700 | 0.83 | MEN1 (1.00) | ADORA1ADORA2AKDM4EALDH1A1TDP1 |
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-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 |