Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.54 |
| ▸ | CES1 | P23141 | 4/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10887382 | 0.87 | KMT2A (0.54) | CES2CES1PGRADRA2AADRA2B | |
| SCHEMBL7053028 | 0.83 | KMT2A (0.45) | CES2CES1PGRADRA2AADRA2B | |
| SCHEMBL28940553 | 0.82 | PGR (0.55) | CES2CES1PGRADRA2AADRA2B | |
| SCHEMBL28381331 | 0.81 | CES2 (0.56) | CES2CES1PGRADRA2AADRA2B | |
| SCHEMBL28376757 | 0.79 | CES2 (0.57) | CES2CES1PGRADRA2AADRA2B | |
| SCHEMBL12029164 | 0.78 | TPH1 (0.48) | ADRA2AHTR2AKCNH2KMT2APTGS2 | |
| SCHEMBL7571592 | 0.78 | CES2 (0.58) | CES2CES1NAAALMNAMAPT | |
| SCHEMBL6552320 | 0.78 | CES2 (0.58) | CES2CES1NAAALMNAMAPT | |
| SCHEMBL9008213 | 0.78 | CES2 (0.58) | CES2CES1NAAALMNAMAPT | |
| SCHEMBL14973494 | 0.78 | CES2 (0.58) | CES2CES1NAAALMNAMAPT |
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-114478218-A | Preparation method of 1, 3-diketone methylated compound | 南京工业大学 | 2022-05-13 | — | — | CN | disclosed |