Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | ULK1 | O75385 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30042311 | 0.67 | KMT2A (0.56) | ALDH1A1KMT2AACHECTSKULK1 | |
| SCHEMBL21596374 | 0.67 | KMT2A (0.56) | ALDH1A1KMT2AACHECTSKULK1 | |
| SCHEMBL11169614 | 0.66 | PDE4A (0.44) | KDM4EALDH1A1HPGDGAAHSD17B10 | |
| SCHEMBL13165484 | 0.65 | PDE10A (0.36) | KMT2APDE4APDE10AADORA3ADORA1 | |
| SCHEMBL4416389 | 0.64 | ACHE (0.43) | KDM4EALDH1A1HPGDGAAHSD17B10 | |
| SCHEMBL11174566 | 0.64 | HTT (0.41) | KDM4EALDH1A1HPGDGAAHSD17B10 | |
| SCHEMBL16714483 | 0.63 | KMT2A (0.44) | KMT2APDE4APDE10ACTSKADORA3 | |
| SCHEMBL2816729 | 0.63 | KMT2A (0.62) | ALDH1A1KMT2AACHECTSKAXL | |
| SCHEMBL22430981 | 0.62 | CHUK (0.43) | KMT2AADORA3ADORA1AXL | |
| SCHEMBL15589491 | 0.62 | PDE4A (0.54) | KMT2APDE4APDE10AAXL |
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-112313207-A | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2021-02-02 | — | — | CN | disclosed |