Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29451202 | 0.83 | ADORA2A (0.48) | CES1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL28032802 | 0.82 | CES2 (0.41) | CES1LMNACES2KMT2ANPSR1 | |
| SCHEMBL28242285 | 0.79 | CES1 (0.41) | CES1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL28032287 | 0.78 | CES1 (0.44) | CES1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL28095496 | 0.76 | TDP1 (0.50) | CES1TDP1L3MBTL1LMNACES2 | |
| SCHEMBL10776096 | 0.76 | PGR (0.48) | CES1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL2201172 | 0.75 | CES1 (0.48) | CES1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL20867847 | 0.75 | PGR (0.47) | CES1PGRADRA2AADRA2BHTR2A | |
| SCHEMBL28032292 | 0.74 | NPSR1 (0.42) | TDP1L3MBTL1LMNAMLYCDKMT2A | |
| SCHEMBL10779384 | 0.73 | ADORA2A (0.53) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108569942-B | Preparation method of alpha-trifluoromethylthio substituted acetophenone compound | 丽水学院 | 2021-06-25 | — | — | CN | disclosed |
| WO-2019060998-A1 | CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2019-04-04 | — | — | WO | disclosed |
| CN-108569942-A | A kind of preparation method of α-trifluoromethylthio substituted acetophenone class compound | 丽水学院 | 2018-09-25 | — | — | CN | disclosed |