Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 14/20 | 0.65 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | PFKFB2 | O60825 | 1/20 | 0.47 |
| ▸ | PFKFB1 | P16118 | 1/20 | 0.47 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29940986 | 1.00 | XDH (0.65) | XDHCA12CA9PFKFB2PFKFB1 | |
| SCHEMBL29940759 | 0.90 | XDH (0.64) | XDHPFKFB2PFKFB1PFKFB3MEN1 | |
| SCHEMBL28439454 | 0.90 | XDH (0.64) | XDHPFKFB2PFKFB1PFKFB3MEN1 | |
| SCHEMBL28432409 | 0.89 | XDH (0.67) | XDHCA9PFKFB2PFKFB1PFKFB3 | |
| SCHEMBL28429359 | 0.88 | CA9 (0.69) | XDHCA12CA9PFKFB2PFKFB1 | |
| SCHEMBL29940470 | 0.88 | CA9 (0.69) | XDHCA12CA9PFKFB2PFKFB1 | |
| SCHEMBL28432911 | 0.86 | XDH (0.65) | XDHCA12CA9 | |
| SCHEMBL28426545 | 0.86 | XDH (0.65) | XDHCA12CA9 | |
| SCHEMBL28429924 | 0.86 | XDH (0.61) | XDHCA12CA9 | |
| SCHEMBL30464267 | 0.85 | XDH (0.73) | 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 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 |