Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5229504 | 0.75 | CA1 (0.49) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL29720703 | 0.74 | CA2 (0.43) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL29720620 | 0.71 | F10 (0.41) | CA1CA2CA4CA9GAA | |
| SCHEMBL26673632 | 0.68 | MAPT (0.53) | ALDH1A1GAAKMT2A | |
| SCHEMBL28611268 | 0.66 | CA1 (0.44) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL27791834 | 0.66 | LMNA (0.52) | ALDH1A1HTTKMT2A | |
| SCHEMBL21670262 | 0.65 | LMNA (0.70) | ALDH1A1HTT | |
| SCHEMBL26673642 | 0.64 | PKM (0.53) | ALDH1A1GAAKMT2A | |
| SCHEMBL12261981 | 0.64 | LMNA (0.54) | CA1CA2CA9ALDH1A1GAA | |
| SCHEMBL26673612 | 0.64 | ALDH1A1 (0.52) | ALDH1A1GAAUSP2HTT |
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-113105395-B | 4-phenylsulfonyl-1-trihydroxy benzoyl piperazine-2-carboxamide derivative and preparation method and application thereof | 山东大学 | 2022-06-17 | — | — | CN | disclosed |