Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27576407 | 0.79 | PMM2 (0.41) | TRPA1CYP3A4 | |
| SCHEMBL13678595 | 0.78 | ALDH1A1 (0.35) | KIF11TRPA1CYP3A4GABRA1GABRB2 | |
| SCHEMBL27716615 | 0.74 | TDP1 (0.45) | TRPA1CYP3A4 | |
| SCHEMBL24999152 | 0.73 | CYP3A4 (0.61) | KIF11TRPA1CYP3A4GABRA1GABRB2 | |
| SCHEMBL30808855 | 0.72 | NOX1 (0.40) | GABRA1GABRB2 | |
| SCHEMBL11652067 | 0.71 | PLAU (0.47) | TRPA1 | |
| SCHEMBL28161117 | 0.69 | BRD4 (0.42) | — | |
| SCHEMBL29462885 | 0.68 | TAAR1 (0.58) | — | |
| SCHEMBL269825 | 0.68 | TAAR1 (0.58) | — | |
| SCHEMBL8990517 | 0.68 | TDP1 (0.42) | CYP3A4 |
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-107056799-B | The double heptene sulfamide compounds of suberic acid monoanilide group oxygen bridge, its synthetic method, application and anti-breast cancer medicines composition | 武汉宏兹生物技术有限公司 | 2019-06-14 | — | — | CN | disclosed |