Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | F2R | P25116 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | DHX9 | Q08211 | 1/20 | 0.37 |
| ▸ | GRK2 | P25098 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28820276 | 0.74 | NR3C1 (0.47) | ALDH1A1SMN1; SMN2NR3C1TP53GRIN1 | |
| SCHEMBL9625631 | 0.71 | KDM4E (0.58) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9625141 | 0.70 | THRA (0.52) | ALDH1A1KDM4E | |
| Butyramide SCHEMBL28820280 | 0.69 | NR3C1 (0.49) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL29794800 | 0.69 | KEAP1 (0.53) | ALDH1A1SMN1; SMN2POLBNR3C1DHX9 | |
| SCHEMBL11602969 | 0.68 | PTPRB (0.45) | ALDH1A1SMN1; SMN2F2R | |
| SCHEMBL29939966 | 0.68 | MAPT (0.53) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL10589387 | 0.67 | ALDH1A1 (0.55) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL698855 | 0.67 | KEAP1 (0.70) | ALDH1A1SMN1; SMN2POLBNR3C1DHX9 | |
| SCHEMBL9625149 | 0.66 | CACNA1F (0.50) | CA12CA1CA2CA9ALDH1A1 |
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 |