Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 7/20 | 0.64 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28429315 | 1.00 | XDH (0.64) | XDHCA12CA9 | |
| SCHEMBL29940857 | 0.88 | XDH (0.61) | XDH | |
| SCHEMBL28433872 | 0.88 | XDH (0.61) | XDH | |
| SCHEMBL29940813 | 0.87 | CA9 (0.67) | XDHCA12CA9 | |
| SCHEMBL28896300 | 0.87 | CA9 (0.67) | XDHCA12CA9 | |
| SCHEMBL28430820 | 0.87 | XDH (0.63) | XDHCA9 | |
| SCHEMBL28429359 | 0.84 | CA9 (0.69) | XDHCA12CA9 | |
| SCHEMBL29940470 | 0.84 | CA9 (0.69) | XDHCA12CA9 | |
| SCHEMBL29940592 | 0.83 | XDH (0.61) | XDHCA12CA9 | |
| SCHEMBL28429924 | 0.83 | XDH (0.61) | XDHCA12CA9 |
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-111072634-B | 1-substituted-3-substituted-5-substituted amide-1H-indole compound and preparation method and application thereof | 中国医科大学 | 2022-07-22 | — | — | CN | disclosed |