Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.54 |
| ▸ | CES1 | P23141 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.44 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL11287392 | 0.81 | MAPT (0.56) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL14388863 | 0.79 | GSK3B (0.55) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL11015525 | 0.76 | ALDH1A1 (0.40) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL20158014 | 0.75 | CES2 (0.60) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL11795144 | 0.74 | EGFR (0.56) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL13043540 | 0.73 | CES2 (0.71) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL167254 | 0.72 | CES2 (1.00) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL23659123 | 0.71 | MEN1 (0.50) | CES2CES1HTTLMNAKMT2A | |
| SCHEMBL18998428 | 0.71 | CES2 (0.68) | CES2CES1ALDH1A1HTTNPSR1 | |
| SCHEMBL2816739 | 0.71 | CES2 (0.68) | CES2CES1ALDH1A1HTTNPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105541582-B | The MBH of alpha, beta unsaturated ketone and allyl acetic acid ester reacts | 浙江大学 | 2017-07-18 | — | — | CN | disclosed |
| CN-105541582-A | MBH reaction of alpha, beta-unsaturated ketone and allyl acetate | UNIV ZHEJIANG | 2016-05-04 | — | — | CN | disclosed |