Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.43 |
| ▸ | RARB | P10826 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 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 | |
|---|---|---|---|---|
| Phenethylamine SCHEMBL27459899 | 0.87 | HTR2A (0.47) | ALDH1A1KDM4EHDAC8TSHRPARK7 | |
| SCHEMBL28006956 | 0.84 | RARB (0.59) | ALDH1A1RARB | |
| Benzene SCHEMBL27546363 | 0.83 | KDM4E (0.55) | TDP1ALDH1A1KDM4ETSHRNR1H4 | |
| SCHEMBL28826878 | 0.83 | GPR52 (0.47) | ALDH1A1KDM4EHDAC8TSHRPARK7 | |
| SCHEMBL28006640 | 0.83 | L3MBTL1 (0.44) | TDP1ALDH1A1KDM4EHDAC8PARK7 | |
| Alcohol SCHEMBL27614988 | 0.82 | TSHR (0.47) | TDP1ALDH1A1KDM4ETSHRRARB | |
| SCHEMBL69633 | 0.82 | TSHR (0.53) | TDP1ALDH1A1KDM4ETSHRRARB | |
| Biphenyl SCHEMBL27658037 | 0.80 | KMO (0.53) | ALDH1A1KDM4EACMSDTSHRNR1H4 | |
| Naphthalene SCHEMBL27658434 | 0.80 | KDM4E (0.53) | TDP1ALDH1A1KDM4ETSHRRARB | |
| SCHEMBL7455122 | 0.80 | LCK (0.47) | TDP1ALDH1A1KDM4EACMSDRARB |
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-104692988-A | Novel method for synthesizing functionalized ketone by reaction of secondary alcohol and primary alcohol | UNIV JIANGNAN | 2015-06-10 | — | — | CN | disclosed |