Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.60 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 10/20 | 0.45 |
| ▸ | PFKFB2 | O60825 | 1/20 | 0.44 |
| ▸ | PFKFB1 | P16118 | 1/20 | 0.44 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.44 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.43 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.43 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28430806 | 1.00 | XDH (0.60) | XDHMMP2MMP9LRRK2PFKFB2 | |
| SCHEMBL29940720 | 0.87 | XDH (0.62) | XDHLRRK2PFKFB2PFKFB1PFKFB3 | |
| SCHEMBL28427144 | 0.87 | XDH (0.62) | XDHLRRK2PFKFB2PFKFB1PFKFB3 | |
| SCHEMBL28429317 | 0.85 | XDH (0.62) | XDHLRRK2PFKFB2PFKFB1PFKFB3 | |
| SCHEMBL15764692 | 0.78 | XDH (0.59) | XDHPFKFB2PFKFB1PFKFB3IMPDH2 | |
| SCHEMBL28896355 | 0.77 | XDH (0.59) | XDHIMPDH2 | |
| SCHEMBL29940860 | 0.77 | XDH (0.59) | XDHIMPDH2 | |
| SCHEMBL28587237 | 0.75 | XDH (1.00) | XDH | |
| SCHEMBL28426663 | 0.74 | CA9 (0.55) | XDHPFKFB2PFKFB1PFKFB3 | |
| SCHEMBL28433872 | 0.74 | XDH (0.61) | XDH |
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 |