Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ACHE | P22303 | 8/20 | 0.37 |
| ▸ | CACNB4 | O00305 | 2/20 | 0.35 |
| ▸ | CACNA1A | O00555 | 2/20 | 0.35 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.35 |
| ▸ | CACNG3 | O60359 | 2/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.35 |
| ▸ | CACNB3 | P54284 | 2/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.35 |
| ▸ | CACNG7 | P62955 | 2/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.35 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.35 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.35 |
| ▸ | CACNG1 | Q06432 | 2/20 | 0.35 |
| ▸ | CACNB2 | Q08289 | 2/20 | 0.35 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5880357 | 0.86 | KDM4E (0.48) | CYP1A2CYP2C9KDM4EACHECACNB4 | |
| SCHEMBL6236301 | 0.76 | ACHE (0.38) | CYP1A2CYP2C9KDM4EACHECACNB4 | |
| SCHEMBL26617701 | 0.73 | KDM4E (0.47) | CYP1A2CYP2C9KDM4EACHEALDH1A1 | |
| SCHEMBL30681964 | 0.73 | KDM4E (0.47) | CYP1A2CYP2C9KDM4EACHEALDH1A1 | |
| SCHEMBL26617997 | 0.72 | KDM4E (0.46) | CYP1A2KDM4EACHECACNB4CACNA1A | |
| SCHEMBL31345638 | 0.72 | KDM4E (0.46) | CYP1A2KDM4EACHECACNB4CACNA1A | |
| SCHEMBL9014873 | 0.71 | KDM4E (0.45) | CYP1A2KDM4EACHECACNB4CACNA1A | |
| SCHEMBL21572852 | 0.70 | ALDH1A1 (0.56) | CYP1A2KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL2410364 | 0.69 | KDM4E (0.41) | CYP1A2CYP2C9KDM4EACHEALDH1A1 | |
| SCHEMBL2408933 | 0.69 | KDM4E (0.41) | CYP1A2CYP2C9KDM4EACHEALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1587796-A1 | SATURATED QUINOXALINE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS | AstraZeneca AB (SE) | 2005-10-26 | — | — | EP | disclosed |
| WO-2004069813-A1 | SATURATED QUINOXALINE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS | ASTRAZENECA AB (SE) | 2004-08-19 | — | — | WO | disclosed |