Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28588342 | 0.82 | PIK3CD (0.37) | ALDH1A1CYP1A2NPC1RAB9AKDM4E | |
| SCHEMBL21295812 | 0.77 | DYRK1A (0.45) | CYP2A6DYRK1ADYRK1BCYP3A4ALDH1A1 | |
| SCHEMBL21295859 | 0.75 | CYP2A6 (0.44) | CYP2A6DYRK1ADYRK1BCYP3A4ALDH1A1 | |
| SCHEMBL28571384 | 0.73 | KDM4E (0.41) | CYP2A6ALDH1A1CYP1A2NPC1RAB9A | |
| SCHEMBL21296040 | 0.71 | CYP11B1 (0.40) | CYP2A6DYRK1ADYRK1BCYP3A4ALDH1A1 | |
| SCHEMBL26259989 | 0.69 | CYP2A6 (0.64) | CYP2A6DYRK1ACYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL30026143 | 0.69 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL20541087 | 0.69 | CYP2A6 (0.70) | CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL21295600 | 0.69 | DYRK1A (0.50) | CYP2A6DYRK1ADYRK1BCYP3A4ALDH1A1 | |
| SCHEMBL21295860 | 0.69 | CYP2A6 (0.44) | CYP2A6DYRK1ADYRK1BCYP3A4ALDH1A1 |
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-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 |