Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 8/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 8/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | CNR2 | P34972 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | CNR1 | P21554 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.47 |
| ▸ | PPARD | Q03181 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8645587 | 0.86 | XDH (0.48) | XDHGABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL7110975 | 0.81 | XDH (0.52) | XDHGABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL2970964 | 0.80 | EGFR (0.43) | KDM4ETSHR | |
| SCHEMBL332664 | 0.77 | XDH (0.68) | XDHGABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL7163994 | 0.76 | SNCA (0.37) | ALDH1A1NPSR1CYP1A2TSHR | |
| SCHEMBL9999649 | 0.76 | XDH (0.66) | XDHGABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL14769310 | 0.75 | ABAT (0.38) | — | |
| SCHEMBL23027981 | 0.74 | XDH (0.40) | XDHGABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL4678573 | 0.74 | XDH (0.48) | XDHGABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL5423445 | 0.74 | GABRA1 (0.47) | XDHGABRA1GABRB2ALDH1A1MAPT |
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-117720472-A | Benzimidazole compound, and preparation method and application thereof | 苏州沪云新药研发股份有限公司 | 2024-03-19 | — | — | CN | disclosed |