Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 3/20 | 0.43 |
| ▸ | MMP3 | P08254 | 3/20 | 0.43 |
| ▸ | MMP7 | P09237 | 3/20 | 0.43 |
| ▸ | MMP9 | P14780 | 3/20 | 0.43 |
| ▸ | MMP13 | P45452 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28618887 | 0.90 | PTGES (0.46) | PTGESALDH1A1HSP90AA1KMT2AMMP1 | |
| SCHEMBL28618883 | 0.84 | PTGES (0.47) | PTGESALDH1A1HSP90AA1KMT2APOLB | |
| SCHEMBL28402624 | 0.82 | NPC1 (0.58) | PTGESALDH1A1KMT2APOLBHTT | |
| SCHEMBL28919583 | 0.78 | PTGES (0.46) | PTGESALDH1A1HSP90AA1KMT2APOLB | |
| SCHEMBL28599278 | 0.77 | PTGES (0.45) | PTGESALDH1A1HSP90AA1KMT2APOLB | |
| SCHEMBL28402744 | 0.76 | LMNA (0.54) | ALDH1A1KMT2AHTT | |
| SCHEMBL28400696 | 0.74 | LMNA (0.60) | ALDH1A1KMT2APOLBHTT | |
| SCHEMBL28862339 | 0.73 | PTGES (0.56) | PTGESALDH1A1KMT2AHTTNPC1 | |
| SCHEMBL28397138 | 0.73 | ALDH1A1 (0.59) | ALDH1A1KMT2APOLBNPC1RAB9A | |
| SCHEMBL28236192 | 0.71 | GLRA1 (0.51) | ALDH1A1KMT2APOLBCA1CA2 |
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 |