Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL21295779 | 0.88 | CYP2A6 (0.39) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL28608500 | 0.82 | CYP2A6 (0.48) | CYP2A6CYP2B6CYP2E1ESR1ESR2 | |
| SCHEMBL705698 | 0.80 | CYP2A6 (0.56) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL1368412 | 0.73 | ALDH1A1 (0.41) | CYP2A6PTGS2 | |
| SCHEMBL5764637 | 0.72 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1PTPRCCYP3A4 | |
| SCHEMBL21052802 | 0.71 | CYP2A6 (0.60) | CYP2A6CYP2B6CYP2E1ESR1ESR2 | |
| SCHEMBL2448737 | 0.71 | ALDH1A1 (0.39) | CYP2A6PTGS2 | |
| SCHEMBL21295828 | 0.70 | PTGS2 (0.37) | PTGS2 | |
| SCHEMBL9958779 | 0.69 | NOTUM (0.46) | — | |
| SCHEMBL28571976 | 0.69 | ESR1 (0.34) | ESR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112912372-A | Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element | 东曹株式会社 | 2021-06-04 | — | — | CN | disclosed |
| WO-2020085319-A1 | CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 | 2020-04-30 | — | — | WO | disclosed |
| WO-2019163959-A1 | CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 | 2019-08-29 | — | — | WO | disclosed |