Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.41 |
| ▸ | STAT3 | P40763 | 2/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PRKCI | P41743 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 2/20 | 0.38 |
| ▸ | CDK8 | P49336 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4581453 | 0.92 | S1PR1 (0.47) | S1PR1MGLLABHD6STAT3NR1H4 | |
| SCHEMBL27802447 | 0.90 | NR1H4 (0.47) | S1PR1NR1H4CETPPDK1MAPT | |
| SCHEMBL28786186 | 0.89 | BLM (0.42) | S1PR1BLMCETPKDRGRM4 | |
| SCHEMBL27802485 | 0.83 | MKNK1 (0.46) | S1PR1NR1H4KDRPDK1MAPT | |
| SCHEMBL15104092 | 0.82 | S1PR1 (0.41) | S1PR1NR1H4KDRPDK1CDK8 | |
| SCHEMBL4583491 | 0.82 | NR1H4 (0.48) | S1PR1NR1H4CETPPDK1MAPT | |
| SCHEMBL4582429 | 0.82 | S1PR1 (0.46) | S1PR1MGLLSTAT3NR1H4CETP | |
| SCHEMBL4582467 | 0.82 | BLM (0.44) | S1PR1BLMCETPKDRGRM4 | |
| SCHEMBL1791462 | 0.78 | BRAF (0.46) | BLMKDRGRM4MAPTBRAF | |
| SCHEMBL1790536 | 0.77 | S1PR1 (0.44) | S1PR1NR1H4CETPKDRGRM4 |
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 |