Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.60 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.60 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.60 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.52 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.52 |
| ▸ | CDK2 | P24941 | 3/20 | 0.52 |
| ▸ | CDK9 | P50750 | 3/20 | 0.52 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.52 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.52 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.52 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.52 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.50 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | HTR5A | P47898 | 1/20 | 0.50 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28512792 | 1.00 | GSK3B (0.60) | GSK3BDYRK1AMAP3K14CHRNA7CYP1A1 | |
| SCHEMBL5471286 | 0.88 | GSK3B (0.60) | GSK3BDYRK1AMAP3K14CCNT1CDK2 | |
| SCHEMBL3658285 | 0.86 | CCNT1 (0.53) | GSK3BDYRK1AMAP3K14CCNT1CDK2 | |
| SCHEMBL28497712 | 0.85 | CDK2 (0.52) | GSK3BDYRK1AMAP3K14CCNT1CDK2 | |
| SCHEMBL30507501 | 0.85 | CDK2 (0.52) | GSK3BDYRK1AMAP3K14CCNT1CDK2 | |
| SCHEMBL30451078 | 0.84 | CYP1A1 (0.55) | CYP1A1CYP1B1TLR9CRHR1TLR7 | |
| SCHEMBL12306207 | 0.84 | HSP90AA1 (0.59) | DYRK1ACHRNA7CYP1A1CYP1B1TLR9 | |
| SCHEMBL15939816 | 0.84 | CHRNA7 (0.55) | GSK3BDYRK1AMAP3K14CHRNA7CCNT1 | |
| SCHEMBL30507254 | 0.84 | CHRNA7 (0.55) | GSK3BDYRK1AMAP3K14CHRNA7CCNT1 | |
| SCHEMBL444455 | 0.82 | CYP1A1 (0.52) | CYP1A1CYP1B1CCNT1CDK9TLR9 |
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-112010844-B | Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor | 中国药科大学 | 2023-07-25 | — | — | CN | disclosed |