Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 3/20 | 0.55 |
| ▸ | PDE4A | P27815 | 1/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.55 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | TNF | P01375 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.48 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28898444 | 0.76 | CFTR (0.67) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28410934 | 0.73 | CFTR (0.61) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6579407 | 0.73 | CFTR (0.63) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29037523 | 0.72 | CFTR (0.62) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28721388 | 0.72 | CFTR (0.62) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19032859 | 0.72 | CFTR (1.00) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29497996 | 0.72 | CFTR (1.00) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL10040282 | 0.71 | MEN1 (0.67) | CYP2C19CYP1A2TNFLMNANPSR1 | |
| SCHEMBL7951628 | 0.71 | L3MBTL1 (0.60) | CFTRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2641012 | 0.71 | CFTR (0.56) | CFTRPDE4APDE4BPDE4CPDE4D |
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-105001169-A | Synthetic method for 3-aminoquinoxaline-2(1H)-ketone compound | UNIV HUAQIAO | 2015-10-28 | — | — | CN | disclosed |