Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 4/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | XDH | P47989 | 13/20 | 0.52 |
| ▸ | PFKFB2 | O60825 | 3/20 | 0.49 |
| ▸ | PFKFB1 | P16118 | 3/20 | 0.49 |
| ▸ | PFKFB3 | Q16875 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28426663 | 1.00 | CA9 (0.55) | CA9CA12XDHPFKFB2PFKFB1 | |
| SCHEMBL28429980 | 0.92 | XDH (0.61) | CA9CA12XDH | |
| SCHEMBL29940871 | 0.92 | XDH (0.61) | CA9CA12XDH | |
| SCHEMBL29940468 | 0.89 | XDH (0.62) | CA9XDH | |
| SCHEMBL28438011 | 0.89 | XDH (0.62) | CA9XDH | |
| SCHEMBL28432413 | 0.89 | XDH (0.62) | CA9XDH | |
| SCHEMBL29940747 | 0.89 | XDH (0.62) | CA9XDH | |
| SCHEMBL28429359 | 0.88 | CA9 (0.69) | CA9CA12XDHPFKFB2PFKFB1 | |
| SCHEMBL29940470 | 0.88 | CA9 (0.69) | CA9CA12XDHPFKFB2PFKFB1 | |
| SCHEMBL29940860 | 0.87 | XDH (0.59) | CA9CA12XDH |
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 |