Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.59 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | CTSG | P08311 | 1/20 | 0.46 |
| ▸ | CMA1 | P23946 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5599125 | 0.81 | KEAP1 (0.63) | KEAP1FFAR1TRPA1ALDH1A1HDAC2 | |
| SCHEMBL27634594 | 0.79 | KEAP1 (0.55) | KEAP1FFAR1TRPA1ALDH1A1HDAC2 | |
| SCHEMBL1822191 | 0.79 | ALDH1A1 (0.57) | KEAP1FFAR1TRPA1ALDH1A1HDAC2 | |
| SCHEMBL476969 | 0.79 | KEAP1 (0.61) | KEAP1FFAR1TRPA1ALDH1A1HDAC2 | |
| SCHEMBL7581741 | 0.79 | KEAP1 (0.61) | KEAP1FFAR1TRPA1ALDH1A1HDAC2 | |
| SCHEMBL6958621 | 0.78 | CYP1A2 (0.56) | KEAP1CYP1A2ALPIPKMPTGS1 | |
| SCHEMBL7483692 | 0.78 | CYP1A2 (0.61) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL2397070 | 0.78 | CYP1A2 (0.61) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL1566396 | 0.78 | CYP1A2 (0.61) | CYP1A2ALPIPKMPTGS1XIAP | |
| SCHEMBL21306740 | 0.78 | KEAP1 (0.59) | KEAP1FFAR1TRPA1ALDH1A1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0934308-A1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1997046554-A1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1997-12-11 | — | — | WO | disclosed |