Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | CPA1 | P15085 | 2/20 | 0.30 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.30 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.30 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.30 |
| ▸ | CPB1 | P15086 | 1/20 | 0.30 |
| ▸ | CPA3 | P15088 | 1/20 | 0.30 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.30 |
| ▸ | ABAT | P80404 | 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 | |
|---|---|---|---|---|
| SCHEMBL28913519 | 0.84 | KDM1A (0.40) | SMN1; SMN2CPA1CPB1CPA3CPB2 | |
| SCHEMBL28308491 | 0.83 | KDM1A (0.38) | — | |
| SCHEMBL28308488 | 0.83 | CYP2C9 (0.40) | CYP3A4CYP2D6GABBR2GABBR1 | |
| SCHEMBL28307707 | 0.83 | KDM1A (0.38) | CPA1 | |
| SCHEMBL28308486 | 0.80 | MEN1 (0.44) | SMN1; SMN2 | |
| SCHEMBL28308490 | 0.80 | KMT2A (0.41) | KDM4ESMN1; SMN2 | |
| SCHEMBL28305532 | 0.64 | L3MBTL1 (0.57) | CYP3A4CYP2D6KDM4ESMN1; SMN2GABBR2 | |
| Glycine SCHEMBL2596528 | 0.63 | GLRA1 (0.56) | CYP2D6KDM4ESMN1; SMN2TPSAB1HDAC3 | |
| Bicarbonate SCHEMBL31055587 | 0.62 | ABAT (0.60) | CYP2D6KDM4ESMN1; SMN2TPSAB1HDAC3 | |
| SCHEMBL28064620 | 0.62 | ANPEP (0.51) | KDM4ESMN1; SMN2TPSAB1HDAC3HDAC6 |
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-109912418-A | A kind of preparation method of trans- -4- phenyl -3-butenoic acid ethyl ester compound | 大连理工大学 | 2019-06-21 | — | — | CN | disclosed |