Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.40 |
| ▸ | TDO2 | P48775 | 3/20 | 0.40 |
| ▸ | EED | O75530 | 1/20 | 0.38 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.38 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21295930 | 0.81 | MAPK14 (0.42) | EEDSUZ12EZH2GSK3BDYRK1A | |
| SCHEMBL21295838 | 0.80 | MAOA (0.37) | CYP2A6CYP3A4ALDH1A1CYP1A2EED | |
| SCHEMBL21295717 | 0.78 | CYP2A6 (0.40) | CYP2A6CYP3A4ALDH1A1CYP1A2NUDT1 | |
| SCHEMBL21297628 | 0.77 | ALDH1A1 (0.42) | CYP2A6CYP3A4ALDH1A1CYP1A2NUDT1 | |
| SCHEMBL21295882 | 0.72 | CYP11B1 (0.43) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1 | |
| SCHEMBL21300578 | 0.71 | KDM4E (0.39) | ALDH1A1CYP1A2TDO2NPC1TSHR | |
| SCHEMBL21295856 | 0.70 | CYP2A6 (0.41) | CYP2A6CYP3A4ALDH1A1CYP1A2NUDT1 | |
| SCHEMBL21295933 | 0.70 | CYP2A6 (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2NUDT1 | |
| SCHEMBL21295780 | 0.70 | NUDT1 (0.43) | CYP2A6CYP3A4ALDH1A1CYP1A2NUDT1 | |
| SCHEMBL7945555 | 0.69 | CYP2A6 (0.45) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1 |
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 |