Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.34 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.34 |
| ▸ | PLK4 | O00444 | 1/20 | 0.34 |
| ▸ | PIR | O00625 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.34 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.34 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.34 |
| ▸ | STK16 | O75716 | 1/20 | 0.34 |
| ▸ | OXSR1 | O95747 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | FES | P07332 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL297931 | 0.87 | BRAF (0.43) | CYP3A4CYP2C19CYP2C9BRAFBMPR1B | |
| SCHEMBL287953 | 0.83 | CYP2C9 (0.42) | CYP3A4CYP2C19CYP2C9BRAFBMPR1B | |
| SCHEMBL994632 | 0.83 | BRAF (0.45) | CYP3A4CYP2C19CYP2C9BRAFBMPR1B | |
| SCHEMBL285511 | 0.81 | BRAF (0.44) | CYP3A4CYP2C19CYP2C9BRAFBMPR1B | |
| SCHEMBL413438 | 0.81 | BRAF (0.45) | CYP3A4CYP2C19CYP2C9BRAFBMPR1B | |
| SCHEMBL995687 | 0.81 | BRAF (0.56) | CYP3A4CYP2C19CYP2C9BRAFBMPR1B | |
| SCHEMBL288265 | 0.81 | CYP2C9 (0.53) | CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL1818826 | 0.81 | CYP2C19 (0.55) | CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL297872 | 0.80 | CYP2C9 (0.48) | CYP3A4CYP2C19CYP2C9BRAFRIPK2 | |
| SCHEMBL2353091 | 0.80 | BRAF (0.42) | CYP3A4CYP2C19CYP2C9BRAFBMPR1B |
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-2427433-A1 | SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS | Plexxikon, Inc. (US) | 2012-03-14 | — | — | EP | disclosed |
| US-8110576-B2 | Pyrrolo(2,3-b)pyrazine compounds; Raf kinase inhibitors including A-Raf, B-Raf and/or c-Raf-1 oncogenes; melanoma, colorectal cancer, thyroid cancer, ovarian cancer, cholangiocarcinoma, pain or polycystic kidney disease | PLEXXIKON INC. (US) | 2012-02-07 | — | — | US | disclosed |