Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 2/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.77 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.76 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.76 |
| ▸ | EGFR | P00533 | 1/20 | 0.76 |
| ▸ | KRAS | P01116 | 1/20 | 0.76 |
| ▸ | RAF1 | P04049 | 1/20 | 0.76 |
| ▸ | PGR | P06401 | 1/20 | 0.76 |
| ▸ | RET | P07949 | 1/20 | 0.76 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.76 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.76 |
| ▸ | ARAF | P10398 | 1/20 | 0.76 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.76 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.76 |
| ▸ | FECH | P22830 | 1/20 | 0.76 |
| ▸ | KDR | P35968 | 1/20 | 0.76 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.76 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.76 |
| ▸ | NEK2 | P51955 | 1/20 | 0.76 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL10246457 | 0.92 | CYP2C19 (0.84) | BRAFCYP2C19RIPK2ABCB11EGFR | |
| SCHEMBL29898551 | 0.89 | CYP2C19 (0.86) | BRAFCYP2C19RIPK2ABCB11EGFR | |
| SCHEMBL299611 | 0.89 | CYP2C19 (0.86) | BRAFCYP2C19RIPK2ABCB11EGFR | |
| SCHEMBL20400626 | 0.89 | CYP2C9 (0.86) | BRAFCYP2C19RIPK2ABCB11EGFR | |
| SCHEMBL27103518 | 0.88 | CYP2C19 (0.82) | BRAFCYP2C19RIPK2ABCB11EGFR | |
| SCHEMBL855840 | 0.88 | BRAF (0.87) | BRAFCYP2C19RIPK2ABCB11EGFR | |
| SCHEMBL29898578 | 0.88 | BRAF (0.87) | BRAFCYP2C19RIPK2ABCB11EGFR | |
| SCHEMBL2163092 | 0.88 | CYP2C19 (0.79) | BRAFCYP2C19RIPK2ABCB11EGFR | |
| SCHEMBL299516 | 0.87 | CYP2C19 (0.86) | BRAFCYP2C19RIPK2ABCB11EGFR | |
| SCHEMBL20294636 | 0.87 | BRAF (1.00) | BRAFCYP2C19RIPK2ABCB11EGFR |
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 |
|---|---|---|---|---|---|---|---|
| US-8198273-B2 | Compounds and methods for kinase modulation, and indications therefor | PLEXXIKON INC. (US) | 2012-06-12 | — | — | US | claimed |