Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | RARB | P10826 | 1/20 | 0.30 |
| ▸ | RARG | P13631 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL20933543 | 1.00 | BACE1 (0.30) | BACE1RARBRARGRXRAADORA2A | |
| SCHEMBL20933563 | 1.00 | BACE1 (0.30) | BACE1RARBRARGRXRAADORA2A | |
| SCHEMBL20933545 | 0.99 | BACE1 (0.31) | BACE1RARBRARGRXRAADORA2A | |
| SCHEMBL20934010 | 0.99 | BACE1 (0.31) | BACE1RARBRARGRXRAADORA2A | |
| SCHEMBL20934006 | 0.98 | RARB (0.32) | BACE1RARBRARGRXRAADORA2A | |
| SCHEMBL20933553 | 0.98 | RARB (0.32) | BACE1RARBRARGRXRAADORA2A | |
| SCHEMBL20934114 | 0.97 | GPR55 (0.30) | — | |
| SCHEMBL20933980 | 0.97 | GPR55 (0.30) | — | |
| SCHEMBL20933114 | 0.96 | HSD17B10 (0.32) | RARBRARGRXRAADORA2AADORA1 | |
| SCHEMBL20933411 | 0.96 | HSD17B10 (0.32) | RARBRARGRXRAADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019078461-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2019-04-25 | — | — | WO | disclosed |