Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 1/20 | 0.43 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.38 |
| ▸ | RRM1 | P23921 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL28437416 | 0.81 | FFAR1 (0.44) | ALDH1A1CA2CA1GAAC5AR1 | |
| SCHEMBL14061790 | 0.78 | C5AR1 (0.45) | CHATHKDC1ALDH1A1GRM5KEAP1 | |
| SCHEMBL28370028 | 0.76 | KEAP1 (0.58) | HKDC1ALDH1A1KEAP1NFE2L2HSP90AA1 | |
| SCHEMBL30083688 | 0.76 | KEAP1 (0.58) | HKDC1ALDH1A1KEAP1NFE2L2HSP90AA1 | |
| SCHEMBL30725838 | 0.76 | HKDC1 (0.47) | HKDC1ALDH1A1KEAP1NFE2L2HSP90AA1 | |
| SCHEMBL7572644 | 0.75 | MEN1 (0.39) | CHATHKDC1ALDH1A1GRM5KEAP1 | |
| SCHEMBL27933430 | 0.74 | CHAT (0.63) | CHATALDH1A1GRM5CA2CA1 | |
| SCHEMBL28858455 | 0.74 | NPC1 (0.55) | ALDH1A1CA2CA1GAAC5AR1 | |
| SCHEMBL28577615 | 0.72 | GAA (0.59) | ALDH1A1CA2CA1GAACA12 | |
| SCHEMBL28433392 | 0.71 | CA2 (0.60) | ALDH1A1GRM5CA2CA1GAA |
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 |