Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 4/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.45 |
| ▸ | PPARG | P37231 | 4/20 | 0.45 |
| ▸ | PPARA | Q07869 | 3/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29056230 | 0.87 | PDE4B (0.41) | PTGESALOX5PPARGPPARAPDE4B | |
| SCHEMBL30542636 | 0.83 | PDE4B (0.50) | PTGESALOX5PPARGPPARAPDE4B | |
| SCHEMBL29056271 | 0.82 | KDM4E (0.41) | PDE4BPDE4DCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29056201 | 0.81 | PDE4B (0.47) | ALOX5PPARGPPARAPDE4BPDE4D | |
| SCHEMBL30542647 | 0.79 | ABCG2 (0.52) | PTGESALOX5PPARGPPARACYP3A4 | |
| SCHEMBL29056286 | 0.79 | SLC22A12 (0.55) | PDE4BPDE4DCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29056228 | 0.79 | SLC22A12 (0.55) | PPARAPDE4BPDE4DMAPTKDM4E | |
| SCHEMBL29056213 | 0.78 | L3MBTL1 (0.48) | PDE4BCYP2C9MAPTKDM4ETP53 | |
| SCHEMBL29056285 | 0.78 | PDE4B (0.39) | PDE4BPDE4DCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29056261 | 0.78 | SLC22A12 (0.49) | PDE4BPDE4DCYP2C9CYP2C19MAPT |
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 |