Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL487780 | 0.84 | MGLL (0.57) | HTR1AADRA1AALDH1A1KCNQ2 | |
| SCHEMBL27264219 | 0.77 | HTR1A (0.64) | PPARGPPARDPPARAHTR1AADRA1A | |
| SCHEMBL31207305 | 0.77 | HTR1A (0.64) | PPARGPPARDPPARAHTR1AADRA1A | |
| SCHEMBL9294341 | 0.76 | KCNQ2 (0.53) | PPARGPPARAHTR1AADRA1ASMN1; SMN2 | |
| SCHEMBL28658416 | 0.73 | HTR1A (0.56) | PPARGPPARDPPARAHTR1AADRA1A | |
| SCHEMBL29154198 | 0.72 | ALDH1A1 (0.43) | HTR1AADRA1AALDH1A1POLBKCNQ2 | |
| SCHEMBL2395284 | 0.72 | AKR1C3 (0.46) | PPARGPPARAHTR1AADRA1AKCNQ2 | |
| SCHEMBL10639920 | 0.71 | POLB (0.50) | NR1H2NR1H3POLBCES1CASP1 | |
| SCHEMBL1928791 | 0.71 | ACP3 (0.43) | ALDH1A1GAA | |
| SCHEMBL6773227 | 0.71 | TSHR (0.57) | ALDH1A1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114516827-A | Method for reducing content of indobufen genotoxic impurities | 杭州中美华东制药有限公司 | 2022-05-20 | — | — | CN | claimed |
| CN-116462636-A | Synthesis method of 3-alkyl quinoxaline-2 (1H) ketone compound mediated by visible light | 河南师范大学 | 2023-07-21 | — | — | CN | disclosed |
| CN-114516827-A | Method for reducing content of indobufen genotoxic impurities | 杭州中美华东制药有限公司 | 2022-05-20 | — | — | CN | disclosed |