Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | SCN4A | P35499 | 1/20 | 0.40 |
| ▸ | GAK | O14976 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29639036 | 1.00 | KDM4E (0.50) | KDM4EBACE1CYP11B2CCNE2CCNA2 | |
| SCHEMBL20033417 | 0.93 | KDM4E (0.50) | KDM4EBACE1CYP11B2CCNE2CCNA2 | |
| SCHEMBL29639042 | 0.93 | KDM4E (0.50) | KDM4EBACE1CYP11B2CCNE2CCNA2 | |
| SCHEMBL11922120 | 0.84 | PDE10A (0.41) | PDE10AMETAP2MEN1KMT2A | |
| SCHEMBL30302551 | 0.79 | KDM4E (0.50) | KDM4EBACE1NPBWR1PDE10AEPHX2 | |
| SCHEMBL3655234 | 0.79 | KDM4E (0.50) | KDM4EBACE1NPBWR1PDE10AEPHX2 | |
| SCHEMBL11522085 | 0.79 | BACE1 (0.59) | KDM4EBACE1NPBWR1PDE10AEPHX2 | |
| Ethoxycarbonyl Group SCHEMBL27877278 | 0.78 | MAOB (0.40) | KDM4EPDE10AGAKTHRB | |
| SCHEMBL16232299 | 0.76 | PDE10A (0.41) | PDE10AMETAP2MEN1KMT2A | |
| SCHEMBL19674039 | 0.76 | KMT2A (0.48) | KDM4EBACE1CYP11B2KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113087674-B | Method for synthesizing quinoxaline compound under catalysis of visible light induced photosensitizer | 河南大学 | 2022-06-17 | — | — | CN | disclosed |
| CN-113087674-A | Method for synthesizing quinoxaline compound under visible light induced iron catalysis condition | 河南大学 | 2021-07-09 | — | — | CN | disclosed |