Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 7/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | CETP | P11597 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL4583491 | 0.92 | NR1H4 (0.48) | NR1H4S1PR1PDK1MAPTMKNK1 | |
| SCHEMBL27802485 | 0.91 | MKNK1 (0.46) | NR1H4S1PR1PDK1MAPTMKNK1 | |
| SCHEMBL27802487 | 0.90 | S1PR1 (0.46) | NR1H4S1PR1PDK1MAPTCETP | |
| SCHEMBL15104092 | 0.84 | S1PR1 (0.41) | NR1H4S1PR1PDK1CDK8 | |
| SCHEMBL4582429 | 0.84 | S1PR1 (0.46) | NR1H4S1PR1PDK1MAPTCETP | |
| SCHEMBL4581436 | 0.84 | MAPT (0.48) | NR1H4S1PR1PDK1MAPTMKNK1 | |
| SCHEMBL4581453 | 0.82 | S1PR1 (0.47) | NR1H4S1PR1PDK1MAPTCETP | |
| SCHEMBL1790577 | 0.81 | S1PR1 (0.45) | NR1H4S1PR1PDK1MAPTCDK8 | |
| SCHEMBL27823156 | 0.80 | PDK1 (0.42) | PDK1MKNK1MKNK2NAMPT | |
| SCHEMBL4581641 | 0.80 | S1PR1 (0.44) | NR1H4S1PR1PDK1MAPTSCN5A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101959516-A | Combination therapy comprising quinoxaline PI3K alpha inhibitors for the treatment of cancer | EXELIXIS INC | 2011-01-26 | — | — | CN | disclosed |