Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13145318 | 0.84 | CYP2A6 (0.64) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1 | |
| SCHEMBL29515584 | 0.84 | CYP2A6 (0.64) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1 | |
| SCHEMBL24662771 | 0.80 | CYP2A6 (0.58) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1 | |
| SCHEMBL21295977 | 0.79 | IMPDH2 (0.49) | CYP3A4ALDH1A1CYP1A2HPGDKDM4E | |
| SCHEMBL1820644 | 0.78 | ACHE (0.45) | ALDH1A1HPGDKDM4EMAPTHTT | |
| SCHEMBL1102698 | 0.77 | CYP2A6 (0.54) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1 | |
| SCHEMBL13911013 | 0.76 | CYP2A6 (0.58) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1 | |
| SCHEMBL2812920 | 0.76 | CYP11B1 (0.66) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1 | |
| SCHEMBL17996010 | 0.76 | CYP11B2 (0.56) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP11B1 | |
| SCHEMBL2813022 | 0.76 | CYP2A6 (0.52) | 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 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 |