Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | CASP7 | P55210 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | 0.90 | PDE4B (0.41) | KDM4ELMNATRPV1PDE4BPDE4D | |
| SCHEMBL29056210 | 0.87 | KDM4E (0.40) | KDM4EALDH1A1TRPV1NLRP3PDE4B | |
| SCHEMBL29056287 | 0.83 | PDE4B (0.47) | KDM4EALDH1A1PDE4BPDE4D | |
| SCHEMBL30542649 | 0.83 | PDE4B (0.47) | KDM4EALDH1A1PDE4BPDE4D | |
| SCHEMBL30542645 | 0.82 | PTGES (0.45) | KDM4ETRPV1PDE4BPDE4DCYP3A4 | |
| SCHEMBL29056213 | 0.81 | L3MBTL1 (0.48) | KDM4EALDH1A1NPSR1L3MBTL1PDE4B | |
| SCHEMBL29056276 | 0.80 | SLC22A12 (0.45) | KDM4EALDH1A1TRPV1PDE4BPDE4D | |
| SCHEMBL29056239 | 0.80 | SLC22A12 (0.45) | KDM4EALDH1A1MAPK1NPSR1L3MBTL1 | |
| SCHEMBL29056226 | 0.78 | ABCG2 (0.52) | KDM4EALDH1A1LMNANPSR1L3MBTL1 | |
| SCHEMBL29056201 | 0.78 | PDE4B (0.47) | KDM4EALDH1A1L3MBTL1PDE4BPDE4D |
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 |