Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20344756 | 0.90 | HDAC1 (0.37) | HDAC6HDAC1HDAC8CES2ATAD2 | |
| SCHEMBL22756341 | 0.86 | ATAD2 (0.37) | HDAC6HDAC1HDAC8CES2ATAD2 | |
| SCHEMBL20344782 | 0.86 | HDAC6 (0.35) | HDAC6HDAC1HDAC8CES2ATAD2 | |
| SCHEMBL20344775 | 0.85 | GRIN1 (0.37) | HDAC6HDAC1HDAC8CES2ATAD2 | |
| SCHEMBL20344778 | 0.83 | HDAC1 (0.39) | HDAC6HDAC1HDAC8CES2ATAD2 | |
| SCHEMBL22756342 | 0.82 | IDH1 (0.38) | HDAC6HDAC1HDAC8CES2ATAD2 | |
| SCHEMBL20344812 | 0.80 | ATAD2 (0.35) | HDAC6HDAC1HDAC8CES2ATAD2 | |
| SCHEMBL20344747 | 0.80 | BRD4 (0.42) | HDAC6HDAC1HDAC8CES2ATAD2 | |
| SCHEMBL20344745 | 0.77 | CES2 (0.35) | HDAC6HDAC1HDAC8CES2ATAD2 | |
| SCHEMBL20344797 | 0.73 | ALDH1A1 (0.35) | HDAC6HDAC1HDAC8CES2ATAD2 |
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-3342766-B1 | SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE | CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) | 2020-12-09 | — | — | EP | disclosed |
| EP-3342766-A1 | SMALL MOLECULE COMPOUND FOR ENHANCING PLANT STRESS RESISTANCE | Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences (CN) | 2018-07-04 | — | — | EP | disclosed |