Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | FBP1 | P09467 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.54 |
| ▸ | MC5R | P33032 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | CCR2 | P41597 | 1/20 | 0.54 |
| ▸ | HTR6 | P50406 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8363011 | 0.84 | FBP1 (0.58) | ALDH1A1FBP1HSD17B10HPGDTDP1 | |
| SCHEMBL1876191 | 0.83 | HPGD (0.66) | ALDH1A1FBP1HSD17B10HPGDTDP1 | |
| SCHEMBL30005981 | 0.79 | ALDH1A1 (0.76) | ALDH1A1FBP1HSD17B10HPGDTDP1 | |
| SCHEMBL381557 | 0.79 | ALDH1A1 (0.76) | ALDH1A1FBP1HSD17B10HPGDTDP1 | |
| SCHEMBL31038102 | 0.79 | KMT2A (0.55) | ALDH1A1FBP1HSD17B10HPGDTDP1 | |
| SCHEMBL11301546 | 0.79 | FBP1 (0.59) | ALDH1A1FBP1HSD17B10HPGDTDP1 | |
| SCHEMBL11632405 | 0.78 | FBP1 (0.56) | ALDH1A1FBP1HSD17B10HPGDTDP1 | |
| SCHEMBL19840133 | 0.77 | MAPT (0.53) | ALDH1A1FBP1HSD17B10HPGDTDP1 | |
| SCHEMBL23258113 | 0.76 | FBP1 (0.71) | ALDH1A1FBP1HSD17B10HPGDTDP1 | |
| SCHEMBL6273469 | 0.76 | SMN1; SMN2 (0.62) | ALDH1A1KMT2AMAPTMEN1KDM4E |
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-118422223-A | Method for electrochemically synthesizing 2-thiobenzothiazole compound | 桂林医学院 | 2024-08-02 | — | — | CN | disclosed |