Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30066982 | 0.82 | MTNR1A (0.51) | ERN1ALDH1A1CYP1A2CYP2A6MAPT | |
| SCHEMBL10388887 | 0.82 | MTNR1A (0.51) | ERN1ALDH1A1CYP1A2CYP2A6MAPT | |
| SCHEMBL18425254 | 0.82 | ALDH1A1 (0.54) | ERN1ALDH1A1CYP1A2CYP2A6KDM4E | |
| SCHEMBL28948948 | 0.81 | CYP1A2 (0.43) | ERN1ALDH1A1CYP1A2CYP2A6KDM4E | |
| SCHEMBL1360246 | 0.81 | ERN1 (0.59) | ERN1 | |
| SCHEMBL30066894 | 0.81 | ERN1 (0.59) | ERN1 | |
| SCHEMBL6615697 | 0.79 | ERN1 (0.54) | ERN1ALDH1A1KDM4EMAPTRAD52 | |
| SCHEMBL5660761 | 0.78 | ALDH1A1 (0.46) | ERN1ALDH1A1CYP1A2CYP2A6KDM4E | |
| SCHEMBL27741565 | 0.77 | CYP1A2 (0.52) | ERN1ALDH1A1CYP1A2CYP2A6KDM4E | |
| SCHEMBL19712480 | 0.77 | ALDH1A1 (0.51) | ALDH1A1CYP1A2KDM4EMAPTSLC2A1 |
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-114573588-A | Axial chiral benzopyrazine compound and preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2022-06-03 | — | — | CN | claimed |
| CN-114573588-A | Axial chiral benzopyrazine compound and preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2022-06-03 | — | — | CN | disclosed |
| EP-1025074-A1 | RECOVERY AND RECYCLE OF CATALYST COMPONENTS USED IN PALLADIUM-CATALYZED PREPARATION OF ARYLCARBOXYLIC ACIDS | ALBEMARLE CORPORATION (US) | 2000-08-09 | — | — | EP | disclosed |
| WO-1999019289-A1 | RECOVERY AND RECYCLE OF CATALYST COMPONENTS USED IN PALLADIUM-CATALYZED PREPARATION OF ARYLCARBOXYLIC ACIDS | ALBEMARLE CORPORATION (US) | 1999-04-22 | — | — | WO | disclosed |