Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 | P30411 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22563037 | 0.88 | RARB (0.47) | ALDH1A1TSHR | |
| SCHEMBL21164999 | 0.83 | ALDH1A1 (0.42) | HDAC8HDAC6ESR1ESR2ALDH1A1 | |
| SCHEMBL22562991 | 0.83 | RARB (0.49) | ALDH1A1NR1I2TSHR | |
| SCHEMBL28836790 | 0.82 | HSD17B10 (0.46) | HDAC8HDAC6ALDH1A1NR1I2MAPK1 | |
| SCHEMBL18800441 | 0.81 | NR1I2 (0.47) | BDKRB2HDAC8HDAC6ESR1ESR2 | |
| SCHEMBL12172229 | 0.81 | NR1I2 (0.47) | BDKRB2HDAC8HDAC6ESR1ESR2 | |
| SCHEMBL1851402 | 0.79 | ESR1 (0.65) | ESR1ESR2ALDH1A1NR1I2LMNA | |
| SCHEMBL28787077 | 0.79 | ALDH1A1 (0.50) | HDAC8HDAC6ALDH1A1LMNAHPGD | |
| SCHEMBL10956533 | 0.79 | TP53 (0.53) | ALDH1A1NR1I2TSHR | |
| SCHEMBL26382139 | 0.79 | ALDH1A1 (0.53) | BDKRB2HDAC8HDAC6ESR1ESR2 |
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-108069956-B | 1-azabicyclo [2,2,2] oct-4-yl phenyl ketone compound, preparation method and application thereof | 扬州奥锐特药业有限公司 | 2021-03-16 | — | — | CN | disclosed |