Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRC | P08575 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL2848829 | 0.81 | CYP2A6 (0.47) | PTPRCCYP2A6MAPK1S100A4TDP1 | |
| SCHEMBL29279869 | 0.77 | PTPRC (0.46) | PTPRCCYP2A6PDK2MAPK1CYP1A2 | |
| SCHEMBL19180559 | 0.77 | PTPRC (0.46) | PTPRCCYP2A6PDK2MAPK1CYP1A2 | |
| SCHEMBL28837915 | 0.77 | PTPRC (0.46) | PTPRCCYP2A6PDK2MAPK1CYP1A2 | |
| SCHEMBL28723244 | 0.77 | IDO1 (0.42) | PTPRCMAPK1S100A4MEN1NPC1 | |
| SCHEMBL1957175 | 0.74 | ALDH1A1 (0.52) | PTPRCCYP2A6MAPK1TDP1NPC1 | |
| SCHEMBL28923513 | 0.73 | PTPRC (0.46) | PTPRCCYP2A6MAPK1CYP1A2TDP1 | |
| SCHEMBL29290421 | 0.73 | PTPRC (0.46) | PTPRCCYP2A6PDK2MAPK1CYP1A2 | |
| SCHEMBL8588230 | 0.73 | ALDH1A1 (0.50) | PTPRCCYP2A6MAPK1MAOBTDP1 | |
| SCHEMBL28580714 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113045553-A | Aza-aromatic compound used as electron transport material and application thereof | 烟台显华化工科技有限公司 | 2021-06-29 | — | — | CN | disclosed |