Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 5/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | CNR2 | P34972 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CNR1 | P21554 | 2/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | PPARD | Q03181 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28864355 | 0.92 | ALDH1A1 (0.50) | GABRA1GABRB2ALDH1A1MAPTCNR2 | |
| SCHEMBL28864359 | 0.89 | ALDH1A1 (0.47) | GABRA1GABRB2ALDH1A1MAPTCNR2 | |
| SCHEMBL13979071 | 0.78 | CA2 (0.62) | ALDH1A1KDM4ECA1CA2LPL | |
| SCHEMBL30524173 | 0.77 | ALDH1A1 (0.40) | GABRA1GABRB2ALDH1A1MAPTCNR2 | |
| SCHEMBL2423008 | 0.77 | LPL (0.52) | GABRA1GABRB2ALDH1A1MAPTCNR2 | |
| SCHEMBL24160966 | 0.76 | CA2 (0.60) | ALDH1A1KDM4ECA1CA2LPL | |
| SCHEMBL30083985 | 0.76 | ALDH1A1 (0.48) | GABRA1GABRB2ALDH1A1MAPTCNR2 | |
| SCHEMBL16487290 | 0.76 | ALDH1A1 (0.48) | GABRA1GABRB2ALDH1A1MAPTCNR2 | |
| SCHEMBL3259762 | 0.74 | XDH (0.58) | GABRA1GABRB2ALDH1A1MAPTCNR2 | |
| SCHEMBL38660702 | 0.74 | ENPP2 (0.60) | GABRA1GABRB2ALDH1A1MAPTCNR2 |
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-115197053-A | Dihalogen cyclopropane derivative capable of releasing acid and preparation method and application thereof | 中山大学 | 2022-10-18 | — | — | CN | claimed |
| CN-115197053-A | Dihalogen cyclopropane derivative capable of releasing acid and preparation method and application thereof | 中山大学 | 2022-10-18 | — | — | CN | disclosed |