Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 5/20 | 0.42 |
| ▸ | PARP15 | Q460N3 | 4/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 2/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17204548 | 0.81 | ESR1 (0.48) | PARP10PARP15PARP2ALDH1A1MAP4K4 | |
| SCHEMBL6051038 | 0.81 | ALDH1A1 (0.62) | RAB9ASIRT1PDE4BPDE4APDE4C | |
| SCHEMBL20053762 | 0.81 | NR1H4 (0.52) | PARP10PARP15PDE4BPDE4APDE4C | |
| SCHEMBL31009754 | 0.81 | ALDH1A1 (0.62) | RAB9ASIRT1PDE4BPDE4APDE4C | |
| SCHEMBL17204380 | 0.78 | PARP15 (0.55) | NPC1PARP10PARP15PDE4BPDE4A | |
| SCHEMBL3566717 | 0.78 | ALDH1A1 (0.54) | RAB9ASIRT1PDE4BPDE4APDE4C | |
| SCHEMBL17889775 | 0.78 | HPGD (0.46) | CYP2C9SIRT1PDE4BALDH1A1KMO | |
| SCHEMBL29954837 | 0.78 | NPC1 (0.44) | NPC1CYP2C9RAB9ANPSR1PDE4B | |
| SCHEMBL4605658 | 0.78 | PDE4B (0.41) | SIRT1PARP10PARP15PDE4BPDE4A | |
| SCHEMBL17050362 | 0.78 | PDE4B (0.46) | SIRT1PDE4BPDE4APDE4CPDE4D |
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-110698459-B | 1-phenyl-2-pyridylalkyl alcohol derivatives as phosphodiesterase inhibitors | 奇斯药制品公司 | 2023-05-05 | — | — | CN | disclosed |
| CN-110698459-A | 1-phenyl-2-pyridylalkyl alcohol derivatives as phosphodiesterase inhibitors | 奇斯药制品公司 | 2020-01-17 | — | — | CN | disclosed |