Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA4 | P22459 | 1/20 | 0.42 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.42 |
| ▸ | KCNAB1 | Q14722 | 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 | |
|---|---|---|---|---|
| SCHEMBL3285800 | 0.98 | KCNA4 (0.43) | KCNA4KCNA1KCNAB1 | |
| SCHEMBL19865969 | 0.84 | KCNA4 (0.37) | KCNA4KCNA1KCNAB1 | |
| SCHEMBL28845438 | 0.80 | KCNA4 (0.41) | KCNA4KCNA1KCNAB1 | |
| SCHEMBL3287236 | 0.69 | — | — | |
| SCHEMBL28197010 | 0.69 | — | — | |
| Ethane SCHEMBL28145652 | 0.67 | — | — | |
| SCHEMBL9176777 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL5907412 | 0.65 | — | — | |
| SCHEMBL10813082 | 0.65 | — | — | |
| SCHEMBL10650379 | 0.62 | TSHR (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105541785-B | The post-processing approach of the dioxacyclohexanes of 2,2 dimethyl, 5 nitro, 5 nitroso 1,3 | 西安近代化学研究所 | 2017-12-22 | — | — | CN | claimed |
| CN-105541785-A | Post-processing method of 2,2-dimethyl-5-nitro-5-nitroso-1,3-dioxahexane | XI'AN MODERN CHEMISTRY RES INST | 2016-05-04 | — | — | CN | claimed |
| CN-105541785-B | The post-processing approach of the dioxacyclohexanes of 2,2 dimethyl, 5 nitro, 5 nitroso 1,3 | 西安近代化学研究所 | 2017-12-22 | — | — | CN | disclosed |
| CN-105541785-A | Post-processing method of 2,2-dimethyl-5-nitro-5-nitroso-1,3-dioxahexane | XI'AN MODERN CHEMISTRY RES INST | 2016-05-04 | — | — | CN | disclosed |