Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29056286 | 0.94 | SLC22A12 (0.55) | SLC22A12PDE4BPDE4DTNKSPARP1 | |
| SCHEMBL29056201 | 0.88 | PDE4B (0.47) | SLC22A12PDE4BPDE4DMAPTTP53 | |
| SCHEMBL29056212 | 0.87 | PDE4B (0.45) | SLC22A12PDE4BPDE4DTNKSPARP1 | |
| SCHEMBL29056239 | 0.85 | SLC22A12 (0.45) | SLC22A12PDE4BPDE4DTNKSPARP1 | |
| SCHEMBL29056274 | 0.83 | PDE4B (0.53) | SLC22A12PDE4BPDE4DBRAFKDR | |
| SCHEMBL29056213 | 0.81 | L3MBTL1 (0.48) | PDE4BMAPTTP53BRAFKDR | |
| SCHEMBL29056197 | 0.81 | PDE4B (0.46) | SLC22A12PDE4BPDE4DTNKSPARP1 | |
| SCHEMBL29056198 | 0.79 | ABCG2 (0.53) | SLC22A12PDE4BMAPTTP53ALDH1A1 | |
| SCHEMBL29056230 | 0.78 | PDE4B (0.41) | SLC22A12PDE4BPDE4DMAPTCYP2C9 | |
| SCHEMBL29056228 | 0.78 | SLC22A12 (0.55) | SLC22A12PDE4BPDE4DMAPTKDM4E |
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-116640095-A | Diaryl amine derivative containing aliphatic carboxyl and preparation method and application thereof | 山东大学 | 2023-08-25 | — | — | CN | disclosed |