Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PTGER2 | P43116 | 4/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.32 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 3/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.31 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28991805 | 0.99 | CYP1A2 (0.34) | CYP1A2CNR2OPRM1TP53CYP3A4 | |
| SCHEMBL28991818 | 0.92 | CNR2 (0.34) | CNR2OPRM1TP53CYP3A4MEN1 | |
| SCHEMBL28992226 | 0.90 | CNR2 (0.34) | CNR2OPRM1TP53CYP3A4MEN1 | |
| SCHEMBL28992060 | 0.85 | LNPEP (0.31) | — | |
| SCHEMBL28992035 | 0.83 | LNPEP (0.31) | CNR2 | |
| SCHEMBL30385570 | 0.80 | CYP1A2 (0.35) | CYP1A2 | |
| SCHEMBL14356136 | 0.69 | ESR1 (0.45) | CYP1A2TP53CYP3A4ALOX5ESR1 | |
| SCHEMBL6327963 | 0.67 | CYP1A2 (0.40) | CYP1A2MAPTHTTPTGER2PTGER4 | |
| SCHEMBL30385764 | 0.67 | OPRK1 (0.32) | HTT | |
| SCHEMBL10450385 | 0.66 | CYP1A2 (0.44) | CYP1A2OPRM1TP53MEN1MAPT |
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-116041166-B | 3, 6-Diisoalkyl cyclohexanone-4, 5-dialkyl-1, 2-benzenediol, preparation method and application | 华南理工大学 | 2024-06-14 | — | — | CN | disclosed |
| CN-116041166-A | 3, 6-diisoalkyl cyclohexanone-4, 5-dialkyl-1, 2-benzenediol, preparation method and application | 华南理工大学 | 2023-05-02 | — | — | CN | disclosed |