Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 3/20 | 0.53 |
| ▸ | PPARA | Q07869 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CIT | O14578 | 1/20 | 0.41 |
| ▸ | RNF4 | P78317 | 1/20 | 0.41 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28711821 | 1.00 | PPARG (0.53) | PPARGPPARAMAPK1OPRM1OPRD1 | |
| SCHEMBL28838109 | 0.90 | SRR (0.46) | PPARGPPARACITALDH1A1SRR | |
| SCHEMBL28119856 | 0.88 | PDK1 (0.46) | PPARGPPARAATMALDH1A1 | |
| SCHEMBL28119599 | 0.87 | PARP15 (0.44) | PPARGPPARAALDH1A1 | |
| SCHEMBL28119870 | 0.86 | RNF4 (0.53) | PPARGPPARAMAPK1RNF4ALDH1A1 | |
| SCHEMBL28119603 | 0.85 | L3MBTL1 (0.42) | PPARGPPARAMAPK1ALDH1A1 | |
| SCHEMBL28732592 | 0.85 | HSP90AA1 (0.39) | PPARGPPARALDHAALDH1A1 | |
| SCHEMBL28732594 | 0.85 | HSP90AA1 (0.39) | PPARGPPARALDHAALDH1A1 | |
| SCHEMBL28838104 | 0.84 | PPARG (0.37) | PPARGPPARAALDH1A1 | |
| SCHEMBL28753334 | 0.83 | SCN9A (0.51) | PPARGPPARAMAPK1LDHAACHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109836477-B | Phenylalanine derivative containing benzothiadiazine-3-ketone 1, 1-dioxide and preparation method and application thereof | 山东大学 | 2022-07-12 | — | — | CN | disclosed |
| CN-109897088-B | Phenylalanine derivative containing N- (2-oxoethyl) benzene sulfonamide and preparation method and application thereof | 山东大学 | 2022-06-17 | — | — | CN | disclosed |
| CN-109796418-B | Phenylalanine derivative containing 4-phenyl-1, 2, 3-triazole and preparation method and application thereof | 山东大学 | 2022-03-25 | — | — | CN | disclosed |
| CN-109824756-B | Phenylalanine derivative containing 4- (benzenesulfonyl) piperazine-2-ketone and preparation method and application thereof | 山东大学 | 2022-03-22 | — | — | CN | disclosed |
| CN-106458940-A | Inhibitors of human immunodeficiency virus replication | 百时美施贵宝公司 | 2017-02-22 | — | — | CN | disclosed |