Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ASF1A | Q9Y294 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14764079 | 0.79 | CES1 (0.48) | CES1CES2MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL14837249 | 0.77 | KDM1A (0.39) | ASF1AMTNR1AMTNR1BCYP1A2CYP2D6 | |
| SCHEMBL11427606 | 0.77 | CES1 (0.54) | CES1CES2MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL11427613 | 0.77 | CES1 (0.54) | CES1CES2MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL14763931 | 0.76 | CES2 (0.45) | CES1CES2MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL317823 | 0.75 | MTNR1A (0.47) | ASF1AMTNR1AMTNR1BALDH1A1 | |
| SCHEMBL28313097 | 0.75 | ASF1A (0.40) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL11437339 | 0.74 | CES2 (0.56) | CES1CES2ALDH1A1HPGDRECQL | |
| SCHEMBL11437343 | 0.74 | CES2 (0.56) | CES1CES2ALDH1A1HPGDRECQL | |
| SCHEMBL891343 | 0.73 | ALDH1A1 (0.41) | CES1PGRADRA2AADRA2BHTR2A |
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-2021045879-A1 | SYNTHESIS OF DEUTERATED ALDEHYDES | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2021-03-11 | — | — | WO | disclosed |