Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.53 |
| ▸ | 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 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | CTSG | P08311 | 1/20 | 0.44 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 5/20 | 0.44 |
| ▸ | CES1 | P23141 | 5/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27952015 | 0.87 | MAPT (0.55) | SLC6A2SLC6A3PGRADRA2AADRA2B | |
| SCHEMBL3121329 | 0.84 | PGR (0.52) | SLC6A2SLC6A3PGRADRA2AADRA2B | |
| SCHEMBL11119075 | 0.82 | MDM2 (0.46) | SLC6A2SLC6A3PGRADRA2AADRA2B | |
| SCHEMBL9952372 | 0.81 | SLC6A3 (0.54) | SLC6A2SLC6A3PGRADRA2AADRA2B | |
| Alcohol SCHEMBL3646464 | 0.81 | PGR (0.49) | SLC6A2SLC6A3PGRADRA2AADRA2B | |
| SCHEMBL7649044 | 0.81 | MAPK1 (0.45) | SLC6A2SLC6A3PGRADRA2AADRA2B | |
| SCHEMBL4326262 | 0.81 | NR4A2 (0.48) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL9889372 | 0.80 | MAPT (0.58) | SLC6A2SLC6A3PGRADRA2AADRA2B | |
| SCHEMBL434807 | 0.80 | MDM2 (0.57) | SLC6A2SLC6A3PGRADRA2AADRA2B | |
| SCHEMBL10779182 | 0.79 | MDM2 (0.52) | NPC1RAB9AHTTPRSS1CTSG |
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-112321398-B | Method for synthesizing alpha-fluorinated ketone by hydrazonating aliphatic chain monoketone | 中山大学 | 2021-11-23 | — | — | CN | disclosed |
| CN-112321398-A | Method for synthesizing alpha-fluorinated ketone by hydrazonating aliphatic chain monoketone | 中山大学 | 2021-02-05 | — | — | CN | disclosed |