Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21295814 | 0.81 | MAPK14 (0.39) | ALDH1A1MAPTLMNAHPGDSMN1; SMN2 | |
| SCHEMBL21295880 | 0.80 | BCAT2 (0.36) | CYP2A6CYP2B6CYP2E1ALDH1A1MAPT | |
| SCHEMBL21295859 | 0.77 | CYP2A6 (0.44) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL21300593 | 0.77 | CYP2A6 (0.51) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL21296168 | 0.73 | CYP2A6 (0.45) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL21295704 | 0.71 | ADORA1 (0.42) | ALDH1A1CYP1A2MAPTKDM4ELMNA | |
| SCHEMBL28569798 | 0.70 | CYP2A6 (0.41) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL28567813 | 0.70 | CYP2A6 (0.50) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL21295816 | 0.69 | CYP11B1 (0.42) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL24318549 | 0.68 | CYP2A6 (0.66) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 |
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 1 patent. 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 |