Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL28419 | 0.79 | BACE1 (0.41) | BACE1CYP2A6ALOX15S100A4GPR84 | |
| SCHEMBL30900304 | 0.79 | BACE1 (0.41) | BACE1CYP2A6ALOX15S100A4GPR84 | |
| SCHEMBL29163883 | 0.77 | PTGDR2 (0.41) | BACE1CYP2A6IDO1ALOX15S100A4 | |
| SCHEMBL22028119 | 0.77 | BACE1 (0.40) | BACE1CYP2A6ALOX15S100A4GPR84 | |
| SCHEMBL30906634 | 0.77 | BACE1 (0.40) | BACE1CYP2A6ALOX15S100A4GSK3B | |
| SCHEMBL25172358 | 0.77 | CYP2A6 (0.44) | BACE1CYP2A6IDO1ALOX15S100A4 | |
| SCHEMBL868296 | 0.77 | BACE1 (0.40) | BACE1CYP2A6ALOX15S100A4GSK3B | |
| SCHEMBL9171547 | 0.76 | PYCR1 (0.43) | CYP2A6IDO1ALOX15S100A4GPR84 | |
| SCHEMBL28627487 | 0.76 | BACE1 (0.39) | BACE1CYP2A6IDO1ALOX15S100A4 | |
| SCHEMBL12281851 | 0.74 | TAAR1 (0.52) | BACE1IDO1ALOX15 |
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-113354641-B | Organic compound and application thereof | 北京八亿时空液晶科技股份有限公司 | 2022-08-26 | — | — | CN | disclosed |
| CN-113354641-A | Organic compound and application thereof | 北京八亿时空液晶科技股份有限公司 | 2021-09-07 | — | — | CN | disclosed |