Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.62 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.45 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.45 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.45 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.45 |
| ▸ | PFKFB2 | O60825 | 1/20 | 0.44 |
| ▸ | PFKFB1 | P16118 | 1/20 | 0.44 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 8/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL29940720 | 1.00 | XDH (0.62) | XDHCA12CA9KCNQ3KCNQ2 | |
| SCHEMBL28430806 | 0.87 | XDH (0.60) | XDHKCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL29940648 | 0.87 | XDH (0.60) | XDHKCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL28429317 | 0.85 | XDH (0.62) | XDHPFKFB2PFKFB1PFKFB3LRRK2 | |
| SCHEMBL15764692 | 0.78 | XDH (0.59) | XDHPFKFB2PFKFB1PFKFB3 | |
| SCHEMBL28587237 | 0.77 | XDH (1.00) | XDH | |
| SCHEMBL28896300 | 0.77 | CA9 (0.67) | XDHCA12CA9 | |
| SCHEMBL29940813 | 0.77 | CA9 (0.67) | XDHCA12CA9 | |
| SCHEMBL28429359 | 0.74 | CA9 (0.69) | XDHCA12CA9PFKFB2PFKFB1 | |
| SCHEMBL29940864 | 0.74 | XDH (0.64) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111072634-A | 1-substituted-3-substituted-5-substituted amide-1H-indole compound and preparation method and application thereof | 中国医科大学 | 2020-04-28 | — | — | CN | claimed |
| 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 |
| CN-111072634-A | 1-substituted-3-substituted-5-substituted amide-1H-indole compound and preparation method and application thereof | 中国医科大学 | 2020-04-28 | — | — | CN | disclosed |