Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.49 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | GRK2 | P25098 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | DHX9 | Q08211 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL698855 | 0.86 | KEAP1 (0.70) | KEAP1ALDH1A1SMN1; SMN2POLBNR3C1 | |
| SCHEMBL10294867 | 0.85 | HPGD (0.47) | ALDH1A1SMN1; SMN2BRD4HTTLMNA | |
| SCHEMBL9781874 | 0.82 | ALDH1A1 (0.50) | KEAP1ALDH1A1SMN1; SMN2POLBNR3C1 | |
| SCHEMBL3363357 | 0.82 | MAPT (0.50) | ALDH1A1POLBCYP2C9HTTKDM4E | |
| SCHEMBL5674547 | 0.80 | CYP2C9 (0.61) | KEAP1ALDH1A1SMN1; SMN2KIF11CYP2C9 | |
| SCHEMBL10589387 | 0.80 | ALDH1A1 (0.55) | KEAP1ALDH1A1SMN1; SMN2POLBNR3C1 | |
| SCHEMBL6840091 | 0.79 | NR3C1 (0.54) | KEAP1ALDH1A1SMN1; SMN2POLBNR3C1 | |
| SCHEMBL1488105 | 0.79 | KEAP1 (0.59) | KEAP1ALDH1A1SMN1; SMN2POLBNR3C1 | |
| SCHEMBL3715900 | 0.78 | CA12 (0.46) | ALDH1A1SMN1; SMN2GRK2LMNADRD2 | |
| SCHEMBL14419962 | 0.78 | KEAP1 (0.53) | KEAP1ALDH1A1SMN1; SMN2POLBNR3C1 |
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-114773289-A | Nitrobenzoisothiazole azo compound and application thereof | 辽宁庸信达染料化工有限公司 | 2022-07-22 | — | — | CN | disclosed |