Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3134646 | 0.83 | HDAC6 (0.34) | HDAC6HDAC1HDAC2ELANEDGAT1 | |
| SCHEMBL16593852 | 0.81 | HDAC6 (0.33) | HDAC6HDAC1HDAC2ELANEDGAT1 | |
| SCHEMBL28423234 | 0.78 | HDAC6 (0.32) | HDAC6HDAC1HDAC2ELANE | |
| SCHEMBL28346522 | 0.76 | PAM (0.36) | ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC2 | |
| SCHEMBL31364246 | 0.76 | HDAC6 (0.35) | ALDH1A1HDAC6HDAC1HDAC2ELANE | |
| SCHEMBL28299938 | 0.75 | ALDH1A1 (0.35) | ALDH1A1HDAC6HDAC1HDAC2DGAT1 | |
| SCHEMBL24710351 | 0.73 | HDAC6 (0.33) | ALDH1A1HDAC6HDAC1HDAC2 | |
| SCHEMBL314306 | 0.73 | HDAC6 (0.36) | ALDH1A1HDAC6HDAC1HDAC2ELANE | |
| SCHEMBL1093474 | 0.73 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL2912096 | 0.73 | HDAC6 (0.36) | ALDH1A1HDAC6HDAC1HDAC2ELANE |
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-109796380-A | 2-allyl-3-sulfonyl-3-butenoate compound and preparation method thereof | 南京工业大学 | 2019-05-24 | — | — | CN | claimed |
| CN-109796380-A | 2-allyl-3-sulfonyl-3-butenoate compound and preparation method thereof | 南京工业大学 | 2019-05-24 | — | — | CN | disclosed |