Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.39 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 4/20 | 0.38 |
| ▸ | RCOR1 | Q9UKL0 | 4/20 | 0.38 |
| ▸ | LIG1 | P18858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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) | CYP2C19CYP1A2TSHRKDM1AMAPK1 | |
| SCHEMBL28308491 | 0.85 | KDM1A (0.38) | MEN1KMT2AKDM1ARCOR1LIG1 | |
| SCHEMBL28307707 | 0.85 | KDM1A (0.38) | MEN1KMT2AKDM1ARCOR1LIG1 | |
| SCHEMBL28308513 | 0.83 | CYP3A4 (0.34) | CYP2D6GABBR2GABBR1CYP3A4 | |
| SCHEMBL28308490 | 0.82 | KMT2A (0.41) | CYP2C9MEN1KMT2ALMNABLM | |
| SCHEMBL28308486 | 0.82 | MEN1 (0.44) | CYP2C9MEN1KMT2ALMNABLM | |
| Bicarbonate SCHEMBL10971534 | 0.67 | MAPK1 (0.50) | CYP2C9MEN1KMT2ALMNABLM | |
| SCHEMBL28317778 | 0.66 | MAPK1 (0.45) | CYP2C9MEN1KMT2ACYP2C19LMNA | |
| SCHEMBL17512751 | 0.65 | MAPK1 (0.44) | CYP2C9MEN1KMT2ALMNABLM | |
| SCHEMBL7077980 | 0.65 | KDM1A (0.51) | CYP2C9LMNABLMTSHRKDM1A |
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 |