Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.53 |
| ▸ | DNMT1 | P26358 | 3/20 | 0.43 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TYMS | P04818 | 4/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 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 | |
|---|---|---|---|---|
| SCHEMBL10588088 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CES1CES2BCHEMCL1 | |
| SCHEMBL28866512 | 0.75 | ALDH1A1 (0.36) | ALDH1A1DNMT1PABPC1CYP3A4CASP1 | |
| SCHEMBL27833733 | 0.74 | ALDH1A1 (0.61) | ALDH1A1CES1CES2BCHEMCL1 | |
| SCHEMBL30420926 | 0.74 | ALDH1A1 (0.61) | ALDH1A1CES1CES2BCHEMCL1 | |
| SCHEMBL29804648 | 0.73 | ALDH1A1 (0.59) | ALDH1A1CES1CES2BCHEMCL1 | |
| SCHEMBL27825788 | 0.73 | ALDH1A1 (0.59) | ALDH1A1CES1CES2BCHEMCL1 | |
| SCHEMBL2701449 | 0.73 | ALDH1A1 (0.59) | ALDH1A1CES1CES2BCHEMCL1 | |
| SCHEMBL11312965 | 0.73 | ALDH1A1 (0.59) | ALDH1A1CES1CES2BCHEMCL1 | |
| SCHEMBL13090563 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CES1CES2BCHEMCL1 | |
| Acenaphthoquinone SCHEMBL28981517 | 0.72 | ALDH1A1 (0.90) | ALDH1A1CES1CES2BCHEMCL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020124557-A1 | VINYLIDENE ACENAPHTHENE α-DIIMINE NICKEL OLEFIN CATALYST AND PREPARATION METHOD AND APPLICATION THEREOF | 杭州星庐科技有限公司 | 2020-06-25 | — | — | WO | disclosed |