Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.40 |
| ▸ | LOX | P28300 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 4/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.40 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25048382 | 0.91 | PDE4A (0.51) | PDE4APDE4BPDE4CPDE4DPROKR1 | |
| SCHEMBL12093555 | 0.86 | LOX (0.47) | PROKR1CYP17A1LOXLOXL2TLR9 | |
| SCHEMBL28453872 | 0.85 | PDE4A (0.42) | PDE4APDE4BPDE4CPDE4DESR2 | |
| SCHEMBL12093696 | 0.83 | PROKR1 (0.48) | PROKR1CYP17A1LOXLOXL2TLR9 | |
| SCHEMBL12093662 | 0.83 | PROKR1 (0.48) | PROKR1CYP17A1LOXLOXL2TLR9 | |
| SCHEMBL21177101 | 0.80 | ESR2 (0.44) | PDE4APDE4BPDE4CPDE4DESR2 | |
| SCHEMBL29210003 | 0.79 | TLR9 (0.46) | PROKR1LOXLOXL2TLR9TLR7 | |
| SCHEMBL28282770 | 0.79 | LOX (0.45) | PROKR1CYP17A1LOXLOXL2TLR9 | |
| SCHEMBL12975662 | 0.79 | TLR9 (0.57) | TLR9TLR7TLR8 | |
| SCHEMBL28282783 | 0.79 | LOX (0.45) | PROKR1CYP17A1LOXLOXL2TLR9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111712490-A | Amino-substituted pyridone derivatives, preparation method and medical application thereof | 上海海雁医药科技有限公司 | 2020-09-25 | — | — | CN | disclosed |
| WO-2020108579-A1 | AMINO-SUBSTITUTED PYRIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 上海海雁医药科技有限公司 | 2020-06-04 | — | — | WO | disclosed |