Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 6/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CFTR | P13569 | 2/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1403643 | 0.88 | GAA (0.72) | GAAKDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL7623605 | 0.86 | GAA (0.70) | GAAKDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL436207 | 0.85 | ALDH1A1 (0.51) | GAAKDM4EALDH1A1HSD17B10MAPT | |
| Dimethyl Phthalate SCHEMBL28028655 | 0.83 | GAA (0.66) | GAAKDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL27622981 | 0.83 | KDM4E (0.47) | GAAKDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL2874165 | 0.82 | KDM4E (0.56) | GAAKDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL1185611 | 0.81 | KMT2A (0.52) | GAAKDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL29439802 | 0.81 | KDM4E (0.47) | GAAKDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL1100205 | 0.81 | ALDH1A1 (0.63) | GAAKDM4EALDH1A1MAPTTSHR | |
| SCHEMBL6177925 | 0.80 | CASP1 (0.41) | GAAKDM4EALDH1A1HSD17B10MAPT |
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-113350296-B | PAD4 inhibitor loaded by CRGD sequence peptide modified chitosan and preparation method and application thereof | 首都医科大学 | 2022-07-15 | — | — | CN | disclosed |
| CN-113350296-A | PAD4 inhibitor loaded by CRGD sequence peptide modified chitosan and preparation method and application thereof | 首都医科大学 | 2021-09-07 | — | — | CN | disclosed |