Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MASP2 | O00187 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.55 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | FABP6 | P51161 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4059259 | 1.00 | NUDT1 (0.55) | NUDT1ALDH1A1KMT2AMASP2MEN1 | |
| SCHEMBL9698797 | 0.83 | ALDH1A1 (0.55) | NUDT1ALDH1A1KMT2AMASP2MEN1 | |
| SCHEMBL2143546 | 0.75 | ALDH1A1 (0.44) | ALDH1A1KMT2AMEN1PDE3BPDE3A | |
| SCHEMBL562793 | 0.75 | DAO (0.44) | ALDH1A1PDE3BPDE3AKDM4EACHE | |
| SCHEMBL4448533 | 0.75 | ALDH1A1 (0.42) | ALDH1A1PDE3BPDE3AKDM4EGAA | |
| SCHEMBL17950072 | 0.75 | PDE3B (0.41) | ALDH1A1PDE3BPDE3AKDM4EMAPT | |
| SCHEMBL3987647 | 0.75 | PDE3B (0.41) | ALDH1A1PDE3BPDE3AKDM4EMAPT | |
| SCHEMBL31875233 | 0.75 | CACNA1H (0.44) | AOC3PDE3BPDE3AGAARAD52 | |
| SCHEMBL4072911 | 0.75 | CACNA1H (0.44) | AOC3PDE3BPDE3AGAARAD52 | |
| SCHEMBL9240666 | 0.75 | KDM4C (0.39) | ALDH1A1KMT2AMEN1PDE3BPDE3A |
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-111205310-B | Heterocyclic fused pyrimidine derivative, pharmaceutical composition and application thereof | 上海迪诺医药科技有限公司 | 2023-12-19 | — | — | CN | disclosed |