Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 13/20 | 0.81 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.75 |
| ▸ | BRAF | P15056 | 2/20 | 0.70 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.70 |
| ▸ | EGFR | P00533 | 1/20 | 0.70 |
| ▸ | KRAS | P01116 | 1/20 | 0.70 |
| ▸ | RAF1 | P04049 | 1/20 | 0.70 |
| ▸ | PGR | P06401 | 1/20 | 0.70 |
| ▸ | RET | P07949 | 1/20 | 0.70 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.70 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.70 |
| ▸ | ARAF | P10398 | 1/20 | 0.70 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.70 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.70 |
| ▸ | FECH | P22830 | 1/20 | 0.70 |
| ▸ | KDR | P35968 | 1/20 | 0.70 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.70 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL300121 | 0.97 | CYP2C19 (0.79) | CYP2C19CYP2C9CYP3A4BRAFRIPK2 | |
| SCHEMBL298611 | 0.91 | CYP2C19 (0.85) | CYP2C19CYP2C9CYP3A4BRAFRIPK2 | |
| SCHEMBL295234 | 0.90 | CYP2C19 (1.00) | CYP2C19CYP2C9CYP3A4BRAFRIPK2 | |
| SCHEMBL292570 | 0.88 | CYP2C9 (1.00) | CYP2C19CYP2C9CYP3A4BRAFRIPK2 | |
| SCHEMBL298630 | 0.88 | CYP2C19 (0.93) | CYP2C19CYP2C9CYP3A4BRAFRIPK2 | |
| SCHEMBL720593 | 0.88 | CYP2C19 (0.82) | CYP2C19CYP2C9CYP3A4BRAFRIPK2 | |
| SCHEMBL294618 | 0.87 | CYP2C19 (1.00) | CYP2C19CYP2C9CYP3A4BRAFRIPK2 | |
| SCHEMBL299085 | 0.87 | CYP2C19 (0.88) | CYP2C19CYP2C9CYP3A4BRAFRIPK2 | |
| SCHEMBL294066 | 0.86 | CYP3A4 (1.00) | CYP2C19CYP2C9CYP3A4BRAFRIPK2 | |
| SCHEMBL3808522 | 0.85 | CYP2C19 (0.58) | CYP2C19CYP2C9CYP3A4BRAFRIPK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2427462-A1 | PYRROLO [2, 3. B]PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE | Plexxikon, Inc. (US) | 2012-03-14 | — | — | EP | claimed |
| EP-2427462-A1 | PYRROLO [2, 3. B]PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE | Plexxikon, Inc. (US) | 2012-03-14 | — | — | EP | disclosed |