Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.57 |
| ▸ | XDH | P47989 | 1/20 | 0.50 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28316244 | 0.88 | HCAR3 (0.59) | PDK1XDHHCAR3LMNATSHR | |
| SCHEMBL28748723 | 0.86 | PDK1 (0.75) | PDK1XDHHCAR3ALDH1A1LMNA | |
| SCHEMBL12352850 | 0.86 | KMT2A (0.57) | PDK1XDHHCAR3ALDH1A1HPGD | |
| SCHEMBL8923694 | 0.86 | PDK1 (0.51) | PDK1XDHHCAR3ALDH1A1GAA | |
| SCHEMBL8923686 | 0.86 | PDK1 (0.51) | PDK1XDHHCAR3ALDH1A1GAA | |
| SCHEMBL29682151 | 0.81 | GAA (0.62) | ALDH1A1GAALMNAKMT2AMEN1 | |
| SCHEMBL11691516 | 0.81 | GAA (0.62) | ALDH1A1GAALMNAKMT2AMEN1 | |
| SCHEMBL4717489 | 0.80 | PDK1 (0.52) | PDK1XDHPRSS1 | |
| SCHEMBL11583868 | 0.79 | XDH (0.49) | PDK1XDHALDH1A1HPGDLMNA | |
| SCHEMBL22897826 | 0.79 | ALDH1A1 (0.53) | XDHALDH1A1GAAHPGDLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110183348-B | N- (3-nitro-4-alkoxy benzoyl) amino acid compound, preparation method and application thereof | 中国医科大学 | 2022-06-03 | — | — | CN | disclosed |