Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13624676 | 1.00 | KEAP1 (0.46) | KEAP1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL11433940 | 0.78 | NOX1 (0.53) | ALDH1A1HPGDTSHRHSD17B10CYP3A4 | |
| SCHEMBL3842734 | 0.74 | KDM4E (0.52) | KEAP1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL9055550 | 0.74 | ALDH1A1 (0.50) | KEAP1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL1342156 | 0.74 | ALDH1A1 (0.50) | KEAP1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL19559633 | 0.74 | MAPT (0.56) | ALDH1A1HPGDTSHRALOX15KDM4E | |
| SCHEMBL11433264 | 0.73 | MAPT (0.54) | ALDH1A1HPGDTSHRHSD17B10CYP3A4 | |
| SCHEMBL13875564 | 0.73 | MAPT (0.57) | ALDH1A1HPGDCYP3A4KDM4EGAA | |
| SCHEMBL1755252 | 0.70 | KEAP1 (0.43) | KEAP1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL7483801 | 0.70 | ALDH1A1 (0.56) | KEAP1ALDH1A1HPGDTSHRHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106414468-B | Fumaric acid-CO- discharges molecular hybridization object, its purposes and preparation method in treatment inflammatory or cardiovascular disease | 巴黎第十二大学 | 2019-05-03 | — | — | CN | disclosed |
| CN-106414468-A | Fumarate-co-releasing molecule hybrids, their use in the treatment of inflammatory or cardiovascular diseases and their process of preparation | 巴黎第十二大学 | 2017-02-15 | — | — | CN | disclosed |