Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL21295814 | 0.82 | MAPK14 (0.39) | ALDH1A1MAPT | |
| SCHEMBL21295704 | 0.75 | ADORA1 (0.42) | ALDH1A1MAPK1MAPT | |
| SCHEMBL7465123 | 0.72 | ALDH1A1 (0.39) | BCAT2ALDH1A1MAPK1CYP2A6CYP2B6 | |
| SCHEMBL21295846 | 0.70 | BCAT2 (0.40) | BCAT2PDPK1ALDH1A1CYP2E1CYP2A6 | |
| SCHEMBL8780074 | 0.70 | — | — | |
| SCHEMBL4805844 | 0.70 | NPC1 (0.30) | — | |
| SCHEMBL533267 | 0.68 | PARP1 (0.35) | ALDH1A1MAPK1CYP2A6MAPTBACE1 | |
| SCHEMBL19756685 | 0.67 | ATR (0.46) | BCAT2PDPK1ALDH1A1MAPK1CYP2A6 | |
| SCHEMBL21295867 | 0.67 | MAPT (0.35) | PDPK1CYP2E1CYP2A6CYP2B6MAPT | |
| SCHEMBL2452059 | 0.65 | ALDH1A1 (0.36) | ALDH1A1MAPK1CYP2A6MAPTBACE1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109311844-B | Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component | 东曹株式会社 | 2021-07-20 | — | — | CN | disclosed |
| 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 |