Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | MMP7 | P09237 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28608791 | 0.90 | HTT (0.47) | HTTPKMMMP1MMP3MMP7 | |
| SCHEMBL28788229 | 0.85 | MMP1 (0.56) | MMP1MMP3MMP7MMP9MMP13 | |
| SCHEMBL28604351 | 0.81 | PKM (0.48) | HTTPKMGAAALDH1A1TSHR | |
| SCHEMBL28599524 | 0.81 | ALDH1A1 (0.58) | PKMGAAALDH1A1KMT2ATSHR | |
| SCHEMBL29720703 | 0.79 | CA2 (0.43) | PKMALDH1A1KMT2ALMNA | |
| SCHEMBL28611268 | 0.78 | CA1 (0.44) | HTTGAAALDH1A1KMT2ALMNA | |
| SCHEMBL28618201 | 0.77 | F2 (0.44) | GAAALDH1A1KMT2A | |
| SCHEMBL26673478 | 0.74 | PKM (0.53) | HTTPKMMMP1MMP3MMP7 | |
| SCHEMBL28617316 | 0.73 | CA1 (0.43) | GAAALDH1A1KMT2A | |
| SCHEMBL28618856 | 0.71 | ALDH1A1 (0.56) | PKMGAAALDH1A1KMT2ATSHR |
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-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 |
| CN-113105395-A | 4-phenylsulfonyl-1-trihydroxy benzoyl piperazine-2-carboxamide derivative and preparation method and application thereof | 山东大学 | 2021-07-13 | — | — | CN | disclosed |