Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | F10 | P00742 | 4/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | PKLR | P30613 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29720620 | 0.88 | F10 (0.41) | CA2CA1CA9CA4F10 | |
| SCHEMBL28611268 | 0.84 | CA1 (0.44) | CA2CA1CA9CA4ALDH1A1 | |
| SCHEMBL28617316 | 0.83 | CA1 (0.43) | CA2CA1CA9CA4F10 | |
| SCHEMBL28599524 | 0.79 | ALDH1A1 (0.58) | TDP1PKML3MBTL1ALDH1A1KMT2A | |
| SCHEMBL28604351 | 0.79 | PKM (0.48) | PKMALDH1A1LMNA | |
| SCHEMBL29720628 | 0.79 | CA1 (0.47) | CA2CA1CA9CA4CA12 | |
| SCHEMBL28601239 | 0.79 | HTT (0.49) | PKMALDH1A1KMT2ALMNA | |
| SCHEMBL28788231 | 0.74 | CA1 (0.45) | CA2CA1CA9CA4F10 | |
| SCHEMBL5229504 | 0.73 | CA1 (0.49) | CA2CA1CA9CA4F10 | |
| SCHEMBL28618855 | 0.72 | MAPT (0.46) | CA2CA1CA9CA4ALDH1A1 |
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 |