Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PPM1B | O75688 | 1/20 | 0.38 |
| ▸ | CFD | P00746 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14239394 | 0.83 | ALDH1A1 (0.67) | ALDH1A1GAAGFERKDM4EHPGD | |
| SCHEMBL7590349 | 0.82 | ALDH1A1 (0.49) | ALDH1A1GAAGFERKDM4EHPGD | |
| SCHEMBL6471833 | 0.79 | MTNR1A (0.45) | ALDH1A1KDM4EHPGDHSD17B10MTNR1A | |
| SCHEMBL3657504 | 0.79 | NR1H4 (0.45) | GAATSHR | |
| SCHEMBL20424475 | 0.79 | MTNR1A (0.50) | ALDH1A1GAAGFERKDM4EHPGD | |
| SCHEMBL2432439 | 0.79 | ALDH1A1 (0.45) | ALDH1A1GAAGFERKDM4EHPGD | |
| SCHEMBL23589258 | 0.78 | MTNR1A (0.44) | ALDH1A1GAAGFERKDM4EHPGD | |
| SCHEMBL31135570 | 0.78 | MTNR1A (0.56) | ALDH1A1GAAKDM4EHPGDMTNR1A | |
| SCHEMBL26102140 | 0.78 | MTNR1A (0.56) | ALDH1A1GAAKDM4EHPGDMTNR1A | |
| SCHEMBL22451131 | 0.78 | ALDH1A1 (0.44) | ALDH1A1GAAGFERKDM4EHPGD |
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 |