Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 3/20 | 0.75 |
| ▸ | NR2C2 | P49116 | 3/20 | 0.75 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.75 |
| ▸ | RELA | Q04206 | 3/20 | 0.75 |
| ▸ | TAB1 | Q15750 | 3/20 | 0.75 |
| ▸ | RAF1 | P04049 | 11/20 | 0.51 |
| ▸ | BRAF | P15056 | 13/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21100754 | 0.88 | NFKB1 (0.71) | NFKB1NR2C2NFKB2RELATAB1 | |
| SCHEMBL1217377 | 0.76 | RAF1 (0.71) | NFKB1NR2C2NFKB2RELATAB1 | |
| SCHEMBL28427186 | 0.75 | RAF1 (0.63) | NFKB1NR2C2NFKB2RELATAB1 | |
| SCHEMBL5793063 | 0.75 | RAF1 (0.69) | RAF1BRAF | |
| SCHEMBL6014811 | 0.74 | KDR (0.63) | RAF1BRAFMAPK14 | |
| SCHEMBL5319531 | 0.74 | KDR (0.67) | NFKB1NR2C2NFKB2RELATAB1 | |
| SCHEMBL2892945 | 0.73 | RAF1 (0.75) | NFKB1NR2C2NFKB2RELATAB1 | |
| SCHEMBL3423428 | 0.73 | BRAF (0.74) | NFKB1NR2C2NFKB2RELATAB1 | |
| SCHEMBL3653979 | 0.73 | RAF1 (0.69) | RAF1BRAFMAPK14 | |
| SCHEMBL6014190 | 0.73 | KDR (0.59) | NFKB1NR2C2NFKB2RELATAB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3060550-B1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-05-15 | — | — | EP | disclosed |