Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.59 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.54 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | GCG | P01275 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | IDH2 | P48735 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | SCN4A | P35499 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL29546 | 0.87 | NCF1 (0.50) | BACE1MCHR1NCF1GCGKDM4E | |
| SCHEMBL22521523 | 0.84 | NCF1 (0.50) | BACE1MCHR1NCF1HRH3MAPT | |
| SCHEMBL22809595 | 0.83 | BACE1 (0.49) | BACE1MCHR1HRH3GCGKDM4E | |
| SCHEMBL6755097 | 0.81 | BACE1 (0.50) | BACE1MCHR1HRH3GCGKDM4E | |
| SCHEMBL7573712 | 0.80 | BACE1 (0.49) | BACE1MCHR1HRH3GCGKDM4E | |
| SCHEMBL5090080 | 0.78 | BACE1 (0.62) | BACE1HRH3KDM4EEPHX2SCN4A | |
| SCHEMBL22809518 | 0.78 | BACE1 (0.54) | BACE1MCHR1HRH3GCGKDM4E | |
| SCHEMBL28139619 | 0.78 | BACE1 (0.50) | BACE1MCHR1HRH3GCGKDM4E | |
| SCHEMBL5479061 | 0.77 | BACE1 (0.57) | BACE1MCHR1HRH3KDM4ECCNE2 | |
| SCHEMBL30586443 | 0.76 | BACE1 (0.65) | BACE1HRH3KDM4ECCNE2CCNA2 |
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-105949120-A | Four-tooth chelating single quinoline derivative, preparation method thereof and application as metal ion regulator for neurodegenerative disease | 广东工业大学 | 2016-09-21 | — | — | CN | disclosed |