Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LOX | P28300 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SDHB | P21912 | 1/20 | 0.47 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.47 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.47 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.47 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | EEF2K | O00418 | 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 | |
|---|---|---|---|---|
| SCHEMBL3068587 | 0.84 | SCN3A (0.57) | SCN3AMMP1ALDH1A1NPC1KMT2A | |
| SCHEMBL3051021 | 0.84 | SCN3A (0.54) | SCN3AMMP1NPC1KMT2ARAB9A | |
| SCHEMBL28467941 | 0.83 | TSHR (0.57) | HSD11B1MMP1ALDH1A1CYP19A1KMT2A | |
| SCHEMBL3241520 | 0.82 | LOX (0.54) | HSD11B1ALDH1A1LOXNPC1KMT2A | |
| SCHEMBL3071407 | 0.80 | SCN3A (0.51) | SCN3AHSD11B1MMP1NPC1KMT2A | |
| SCHEMBL29007589 | 0.79 | MMP13 (0.57) | MMP1LOXNPC1KMT2ACA12 | |
| SCHEMBL4820396 | 0.77 | GAA (0.59) | HSD11B1ALDH1A1LOXNPC1KMT2A | |
| SCHEMBL2919278 | 0.77 | LOX (0.51) | LOXNPC1KMT2ACA12CA1 | |
| SCHEMBL7063704 | 0.77 | KMT2A (0.70) | ALDH1A1LOXNPC1KMT2ACA12 | |
| SCHEMBL1287345 | 0.77 | ALDH1A1 (0.72) | ALDH1A1CYP19A1 |
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-116162046-A | Alkynyl sulfone derivative and preparation method and application thereof | 云南民族大学 | 2023-05-26 | — | — | CN | disclosed |