Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | VDR | P11473 | 1/20 | 0.38 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28281689 | 0.89 | FFAR1 (0.47) | FFAR1MEN1KMT2ATSHRSMN1; SMN2 | |
| SCHEMBL28439931 | 0.81 | CHAT (0.43) | GAACA12CA9CA2CA1 | |
| SCHEMBL28858455 | 0.79 | NPC1 (0.55) | GAACA12CA9CA2MEN1 | |
| SCHEMBL28577615 | 0.77 | GAA (0.59) | GAACA12CA9CA2MEN1 | |
| SCHEMBL28433392 | 0.76 | CA2 (0.60) | GAACA12CA9CA2CA1 | |
| SCHEMBL28705803 | 0.75 | CA12 (0.50) | GAACA12CA9CA2MEN1 | |
| SCHEMBL13783355 | 0.71 | GAA (0.52) | GAACA12CA9CA2MEN1 | |
| O-Xylene SCHEMBL5134935 | 0.70 | SMN1; SMN2 (0.56) | GAACA12CA9CA2MEN1 | |
| O-Xylene SCHEMBL30856513 | 0.70 | SMN1; SMN2 (0.56) | GAACA12CA9CA2MEN1 | |
| SCHEMBL2493552 | 0.70 | GAA (0.50) | GAACA12CA9CA2MEN1 |
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-111139494-B | Method for synthesizing alkyne sulfone compound from terminal alkyne and sulfonyl hydrazide under electrochemical condition | 广西师范大学 | 2021-07-02 | — | — | CN | disclosed |
| CN-111139494-A | Method for synthesizing alkyne sulfone compound from terminal alkyne and sulfonyl hydrazide | 广西师范大学 | 2020-05-12 | — | — | CN | disclosed |