Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16896933 | 0.77 | HTR2A (0.38) | SIRT2SIRT1KCNH2HTR1ASLC6A4 | |
| SCHEMBL16896910 | 0.75 | BRD4 (0.40) | — | |
| SCHEMBL7536952 | 0.66 | HTR1A (0.44) | KCNH2HTR1ASLC6A4 | |
| SCHEMBL14641696 | 0.63 | HTR1A (0.39) | KCNH2HTR1ASLC6A4 | |
| SCHEMBL16896763 | 0.62 | ACHE (0.42) | SIRT2SIRT1 | |
| SCHEMBL16896911 | 0.62 | DRD4 (0.40) | — | |
| SCHEMBL28892515 | 0.62 | POLB (0.52) | SIRT2SIRT1KCNH2HTR1ASLC6A4 | |
| SCHEMBL30002695 | 0.62 | POLB (0.52) | SIRT2SIRT1KCNH2HTR1ASLC6A4 | |
| SCHEMBL18326390 | 0.61 | THRB (0.36) | HTR1ASLC6A4 | |
| SCHEMBL16896791 | 0.61 | CYP3A4 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3092227-B1 | BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS | ORION CORP (FI) | 2018-07-11 | — | — | EP | disclosed |