Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.51 |
| ▸ | USP8 | P40818 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.45 |
| ▸ | MYC | P01106 | 1/20 | 0.45 |
| ▸ | WDR5 | P61964 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | USP7 | Q93009 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28949046 | 0.92 | KDM4E (0.47) | ERBB2ADORA1ADORA2AUSP8NPSR1 | |
| SCHEMBL28823032 | 0.89 | ADORA1 (0.55) | ERBB2ADORA1ADORA2ANPSR1MYC | |
| SCHEMBL2681245 | 0.87 | ERBB2 (0.61) | ERBB2ADORA1ADORA2AUSP8NPSR1 | |
| SCHEMBL14545408 | 0.82 | ERBB2 (0.53) | ERBB2ADORA1ADORA2AUSP8MYC | |
| SCHEMBL28823015 | 0.81 | USP8 (0.58) | ERBB2ADORA1ADORA2AUSP8KDM4E | |
| SCHEMBL28822957 | 0.81 | ADORA1 (0.56) | ADORA1ADORA2AUSP8KDM4EADORA2B | |
| SCHEMBL28822967 | 0.81 | ADORA1 (0.56) | ADORA1ADORA2AUSP8KDM4EADORA2B | |
| SCHEMBL21722354 | 0.79 | ADORA2A (0.58) | ERBB2ADORA1ADORA2AKDM4EMAPT | |
| SCHEMBL4684019 | 0.79 | ERBB2 (0.53) | ERBB2ADORA1ADORA2AUSP8NPSR1 | |
| SCHEMBL15106376 | 0.78 | KDM4E (0.39) | ERBB2ADORA1ADORA2ANPSR1MYC |
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-114644597-B | Tetra-substituted pyrazine derivative and preparation method and application thereof | 南京农业大学 | 2023-11-21 | — | — | CN | claimed |
| CN-114644597-A | Tetra-substituted pyrazine derivative and preparation method and application thereof | 南京农业大学 | 2022-06-21 | — | — | CN | claimed |
| CN-114644597-B | Tetra-substituted pyrazine derivative and preparation method and application thereof | 南京农业大学 | 2023-11-21 | — | — | CN | disclosed |
| CN-114644597-A | Tetra-substituted pyrazine derivative and preparation method and application thereof | 南京农业大学 | 2022-06-21 | — | — | CN | disclosed |