Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.38 |
| ▸ | RCOR1 | Q9UKL0 | 3/20 | 0.38 |
| ▸ | LIG1 | P18858 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 10/20 | 0.37 |
| ▸ | CPA1 | P15085 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
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 | 0.86 | KDM1A (0.40) | KDM1ACPA1FFAR1 | |
| SCHEMBL28308488 | 0.85 | CYP2C9 (0.40) | KDM1ARCOR1LIG1HSD11B1PTGS2 | |
| SCHEMBL28308491 | 0.85 | KDM1A (0.38) | KDM1ARCOR1LIG1MEN1KMT2A | |
| SCHEMBL28308513 | 0.83 | CYP3A4 (0.34) | CPA1 | |
| SCHEMBL28308490 | 0.82 | KMT2A (0.41) | HSD11B1MEN1KMT2AFFAR1 | |
| SCHEMBL28308486 | 0.82 | MEN1 (0.44) | MEN1KMT2AFFAR1 | |
| SCHEMBL28380290 | 0.80 | LIG1 (0.42) | KDM1ARCOR1LIG1HSD11B1CPA1 | |
| Malic Acid SCHEMBL29430071 | 0.71 | SMN1; SMN2 (0.39) | KDM1ARCOR1LIG1HSD11B1CPA1 | |
| SCHEMBL14645495 | 0.66 | LIG1 (0.45) | KDM1ARCOR1LIG1HSD11B1PTGS2 | |
| SCHEMBL17984248 | 0.65 | KDM1A (0.44) | KDM1ARCOR1LIG1HSD11B1PTGS2 |
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 |