Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.50 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.50 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL2964632 | 0.97 | TXNRD1 (0.53) | TXNRD1TXNRD3TXNRD2TDP1ALDH1A1 | |
| SCHEMBL11920449 | 0.78 | TXNRD1 (0.53) | TXNRD1TXNRD3TXNRD2TDP1ALDH1A1 | |
| SCHEMBL10510783 | 0.77 | TXNRD1 (0.49) | TXNRD1TXNRD3TXNRD2TDP1ALDH1A1 | |
| SCHEMBL7815141 | 0.74 | TXNRD1 (0.45) | TXNRD1TXNRD3TXNRD2TDP1ALDH1A1 | |
| SCHEMBL6978083 | 0.73 | TXNRD1 (0.47) | TXNRD1TXNRD3TXNRD2TDP1ALDH1A1 | |
| SCHEMBL7817467 | 0.73 | TXNRD1 (0.44) | TXNRD1TXNRD3TXNRD2TDP1ALDH1A1 | |
| SCHEMBL216931 | 0.71 | ALDH1A1 (0.46) | TXNRD1TXNRD3TXNRD2TDP1ALDH1A1 | |
| SCHEMBL5802273 | 0.71 | ALDH1A1 (0.46) | TXNRD1TXNRD3TXNRD2TDP1ALDH1A1 | |
| SCHEMBL11686801 | 0.70 | TXNRD1 (0.51) | TXNRD1TXNRD3TXNRD2TDP1ALDH1A1 | |
| SCHEMBL20748370 | 0.69 | CA1 (0.42) | TDP1ALDH1A1TSHRCA2CA5A |
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-102070552-B | Preparation method of 3-amino-5-nitro-2, 1-benzisothiazole and diazonium salt thereof | Zhejiang jihua group co ltd | 2012-11-28 | — | — | CN | disclosed |
| CN-102070552-A | Preparation method of 3-amino-5-nitro-2, 1-benzisothiazole and diazonium salt thereof | Zhejiang jihua group co ltd | 2011-05-25 | — | — | CN | disclosed |