Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC5 | P28715 | 1/20 | 0.53 |
| ▸ | FEN1 | P39748 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.41 |
| ▸ | CHRNG | P07510 | 1/20 | 0.41 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5158762 | 0.84 | ERCC5 (0.57) | ERCC5FEN1PARP1ALDH1A1HSD11B1 | |
| SCHEMBL10431600 | 0.81 | CTNNB1 (0.50) | PARP1ALDH1A1ACHE | |
| SCHEMBL4394372 | 0.81 | ERCC5 (0.57) | ERCC5FEN1PARP1ALDH1A1HSD11B1 | |
| SCHEMBL3612003 | 0.80 | ERCC5 (0.61) | ERCC5FEN1PARP1ALDH1A1MEN1 | |
| SCHEMBL8186077 | 0.80 | CTNNB1 (0.42) | ALDH1A1MEN1KMT2AACHELMNA | |
| SCHEMBL2791794 | 0.80 | PARP1 (0.49) | PARP1ALDH1A1MEN1KMT2AACHE | |
| SCHEMBL28415441 | 0.80 | CES2 (0.61) | ALDH1A1MEN1KMT2AACHELMNA | |
| SCHEMBL28422432 | 0.79 | GSK3B (0.53) | ERCC5FEN1ALDH1A1HSD11B1MEN1 | |
| SCHEMBL2598234 | 0.79 | ERCC5 (0.59) | ERCC5FEN1PARP1ALDH1A1HSD11B1 | |
| SCHEMBL3317470 | 0.79 | ERCC5 (0.59) | ERCC5FEN1PARP1ALDH1A1HSD11B1 |
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-108707067-B | Preparation method of 1-aryl-4, 4, 4-trifluoro-1-butanone compound | 大连理工大学 | 2020-06-02 | — | — | CN | disclosed |