Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31362562 | 0.83 | BACE1 (0.37) | BACE1CYP2A6ALOX15S100A4 | |
| SCHEMBL30900304 | 0.77 | BACE1 (0.41) | BACE1CYP1A2CYP2C9CYP2C19CYP2A6 | |
| SCHEMBL28419 | 0.77 | BACE1 (0.41) | BACE1CYP1A2CYP2C9CYP2C19CYP2A6 | |
| SCHEMBL29163883 | 0.76 | PTGDR2 (0.41) | BACE1CYP2A6ALOX15MEN1KMT2A | |
| SCHEMBL868296 | 0.76 | BACE1 (0.40) | BACE1CYP1A2CYP2C9CYP2C19CYP2A6 | |
| SCHEMBL25172358 | 0.76 | CYP2A6 (0.44) | BACE1MAPK1CYP2A6ALOX15MEN1 | |
| SCHEMBL28627486 | 0.76 | BACE1 (0.40) | BACE1CYP2A6ALOX15S100A4IDO1 | |
| SCHEMBL22028119 | 0.76 | BACE1 (0.40) | BACE1CYP2A6ALOX15S100A4 | |
| SCHEMBL26586490 | 0.76 | BACE1 (0.40) | BACE1CYP2A6ALOX15S100A4 | |
| SCHEMBL30906634 | 0.76 | BACE1 (0.40) | BACE1CYP1A2CYP2C9CYP2C19CYP2A6 |
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 |