Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 10/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | CTSG | P08311 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
| ▸ | CTRC | Q99895 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8183708 | 1.00 | HDAC6 (0.54) | HDAC6BCHEMAOAALDH1A1CYP1A2 | |
| SCHEMBL23555415 | 0.94 | HDAC6 (0.50) | HDAC6BCHEMAOAALDH1A1CYP1A2 | |
| SCHEMBL16252461 | 0.90 | HDAC6 (0.47) | HDAC6BCHEMAOAALDH1A1CYP1A2 | |
| SCHEMBL12190901 | 0.89 | HDAC6 (0.62) | HDAC6BCHEMAOAKMT2ANOX1 | |
| SCHEMBL29851224 | 0.89 | HDAC6 (0.62) | HDAC6BCHEMAOAKMT2ANOX1 | |
| SCHEMBL17278627 | 0.87 | HDAC6 (0.48) | HDAC6BCHEMAOAALDH1A1CYP1A2 | |
| SCHEMBL13125133 | 0.86 | HDAC6 (0.47) | HDAC6BCHEMAOAALDH1A1CYP1A2 | |
| SCHEMBL12561842 | 0.86 | ITGB2 (0.49) | BCHECYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL17278623 | 0.84 | HDAC6 (0.46) | HDAC6BCHEMAOAALDH1A1CYP1A2 | |
| SCHEMBL11978698 | 0.84 | HDAC6 (0.44) | HDAC6BCHEMAOAALDH1A1CYP1A2 |
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-113026036-B | Method for synthesizing sulfur ylide compounds by using continuous flow electrochemical oxidation | 南京工业大学 | 2022-06-07 | — | — | CN | disclosed |