Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 5/20 | 0.56 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | KRAS | P01116 | 1/20 | 0.56 |
| ▸ | RAF1 | P04049 | 1/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.56 |
| ▸ | RET | P07949 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | ARAF | P10398 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.56 |
| ▸ | FECH | P22830 | 1/20 | 0.56 |
| ▸ | KDR | P35968 | 1/20 | 0.56 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.56 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.56 |
| ▸ | NEK2 | P51955 | 1/20 | 0.56 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.56 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL20408838 | 0.89 | BRAF (0.53) | BRAFRIPK2ABCB11EGFRKRAS | |
| SCHEMBL20408836 | 0.89 | BRAF (0.61) | BRAFRIPK2ABCB11EGFRKRAS | |
| SCHEMBL298204 | 0.86 | BRAF (0.68) | BRAFRIPK2ABCB11EGFRKRAS | |
| SCHEMBL15557004 | 0.86 | BRAF (0.73) | BRAFRIPK2ABCB11EGFRKRAS | |
| SCHEMBL2357395 | 0.86 | BRAF (0.53) | BRAFRIPK2ABCB11EGFRKRAS | |
| SCHEMBL2353295 | 0.86 | BRAF (0.53) | BRAFRIPK2ABCB11EGFRKRAS | |
| SCHEMBL412694 | 0.85 | AAK1 (0.56) | BRAFRIPK2ABCB11EGFRKRAS | |
| SCHEMBL15667132 | 0.85 | BRAF (0.79) | BRAFRIPK2ABCB11EGFRKRAS | |
| SCHEMBL298598 | 0.85 | BRAF (0.79) | BRAFRIPK2ABCB11EGFRKRAS | |
| SCHEMBL20408844 | 0.83 | BRAF (0.71) | BRAFRIPK2ABCB11EGFRKRAS |
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-1893612-B1 | PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | PLEXXIKON INC (US) | 2011-08-03 | — | — | EP | disclosed |