Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 1/20 | 0.65 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.65 |
| ▸ | BACE1 | P56817 | 1/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | PRKACA | P17612 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | GPR68 | Q15743 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2999744 | 0.80 | CDK5 (0.57) | ADRA1DADRA1APRKACACDK5CDK5R1 | |
| SCHEMBL6372622 | 0.79 | ADRA1A (1.00) | ADRA1DADRA1AADRA2C | |
| Hydrochloric Acid SCHEMBL6374462 | 0.78 | ADRA1A (0.98) | ADRA1DADRA1AADRA2C | |
| SCHEMBL30507263 | 0.77 | ADRA1D (0.54) | ADRA1DADRA1AADORA2AAURKAHSP90AA1 | |
| SCHEMBL28513201 | 0.77 | ADRA1D (0.54) | ADRA1DADRA1AADORA2AAURKAHSP90AA1 | |
| SCHEMBL29001611 | 0.77 | ADRA1D (0.61) | ADRA1DADRA1ABACE1HSD17B10ADRA2C | |
| SCHEMBL9566454 | 0.76 | GPR68 (0.64) | BACE1ADORA2AHSD17B10GPR68APP | |
| SCHEMBL20271334 | 0.75 | HRH4 (0.62) | ALDH1A1GBA1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28509535 | 0.72 | LTA4H (0.53) | ADORA2AAURKAHSP90AA1PRKACAMAPK1 | |
| SCHEMBL30507524 | 0.72 | LTA4H (0.53) | ADORA2AAURKAHSP90AA1PRKACAMAPK1 |
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-A | Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor | 中国药科大学 | 2020-12-01 | — | — | CN | disclosed |