Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.32 |
| ▸ | CDK1 | P06493 | 2/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Quinoxaline SCHEMBL3988599 | 0.98 | ALDH1A1 (0.38) | ALDH1A1MAPK1NCF1CCNB2CDK1 | |
| SCHEMBL28022074 | 0.89 | ALDH1A1 (0.43) | ALDH1A1MAPTKDM4EMEN1POLB | |
| Phenazine SCHEMBL28755089 | 0.83 | MAPT (0.50) | ALDH1A1MAPTKDM4EMEN1USP2 | |
| Phenazine SCHEMBL28755011 | 0.83 | MAPT (0.50) | ALDH1A1MAPTKDM4EMEN1USP2 | |
| Quinoline SCHEMBL14977039 | 0.82 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4EMEN1POLB | |
| Quinoline SCHEMBL27314055 | 0.81 | ALDH1A1 (0.61) | ALDH1A1MAPTKDM4EMEN1POLB | |
| Naphthalene SCHEMBL28007049 | 0.80 | CYP2A6 (0.38) | ALDH1A1 | |
| Naphthalene SCHEMBL4047989 | 0.78 | CYP2A6 (0.40) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| Naphthalene SCHEMBL28993985 | 0.78 | CYP2A6 (0.40) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL28006138 | 0.76 | — | — |
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-105175437-A | Triazole quinoxaline cadmium complex and preparation method thereof | UNIV NANYANG NORMAL | 2015-12-23 | — | — | CN | claimed |
| CN-105175437-A | Triazole quinoxaline cadmium complex and preparation method thereof | UNIV NANYANG NORMAL | 2015-12-23 | — | — | CN | disclosed |
| CN-105175437-A | Triazole quinoxaline cadmium complex and preparation method thereof | UNIV NANYANG NORMAL | 2015-12-23 | — | — | CN | disclosed |
| CN-105175437-A | Triazole quinoxaline cadmium complex and preparation method thereof | UNIV NANYANG NORMAL | 2015-12-23 | — | — | CN | disclosed |