Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 16/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14953597 | 0.90 | ACLY (0.60) | ACLYCA12CA2CA9PPARG | |
| SCHEMBL28529811 | 0.90 | CA2 (0.56) | ACLYCA12CA2CA9ALDH3A1 | |
| SCHEMBL28017013 | 0.86 | CA12 (0.63) | ACLYCA12CA2CA9LMNA | |
| SCHEMBL28017014 | 0.85 | CA12 (0.69) | ACLYCA12CA2CA9ALDH3A1 | |
| SCHEMBL28531301 | 0.85 | ACLY (0.53) | ACLYCA12CA2CA9LMNA | |
| SCHEMBL28519189 | 0.84 | CA12 (0.54) | ACLYCA12CA2CA9PPARG | |
| SCHEMBL29596783 | 0.84 | CA12 (0.54) | ACLYCA12CA2CA9PPARG | |
| SCHEMBL28523450 | 0.83 | CA12 (0.69) | ACLYCA12CA2CA9ALDH3A1 | |
| SCHEMBL28017010 | 0.82 | ACLY (0.61) | ACLYCA12CA2CA9PPARG | |
| SCHEMBL28414154 | 0.81 | CA12 (0.71) | ACLYCA12CA2CA9ALDH3A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111285792-B | 2-substituted indole compound and preparation method thereof | 三峡大学 | 2023-05-02 | — | — | CN | disclosed |
| CN-111285792-A | 2-substituted indole compound and preparation method thereof | 三峡大学 | 2020-06-16 | — | — | CN | disclosed |