Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.47 |
| ▸ | KDR | P35968 | 3/20 | 0.46 |
| ▸ | MAP2K2 | P36507 | 3/20 | 0.46 |
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.46 |
| ▸ | MAP3K20 | Q9NYL2 | 3/20 | 0.46 |
| ▸ | MAP4K5 | Q9Y4K4 | 3/20 | 0.46 |
| ▸ | PLK4 | O00444 | 2/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.46 |
| ▸ | ABL1 | P00519 | 2/20 | 0.46 |
| ▸ | FRK | P42685 | 2/20 | 0.46 |
| ▸ | CDK8 | P49336 | 2/20 | 0.46 |
| ▸ | CLK2 | P49760 | 2/20 | 0.46 |
| ▸ | CSNK1G2 | P78368 | 2/20 | 0.46 |
| ▸ | MINK1 | Q8N4C8 | 2/20 | 0.46 |
| ▸ | HIPK4 | Q8NE63 | 2/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.46 |
| ▸ | SLK | Q9H2G2 | 2/20 | 0.46 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.46 |
| ▸ | CDC7 | O00311 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2888458 | 0.86 | CYP3A4 (0.60) | LRRK2CYP3A4KDRMAP2K2MAP2K1 | |
| SCHEMBL12520259 | 0.81 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL857622 | 0.81 | MAP4K4 (0.63) | LRRK2KDRMAP2K2MAP2K1MAP3K20 | |
| SCHEMBL4021568 | 0.80 | LRRK2 (0.47) | LRRK2CYP3A4KDRMAP2K2MAP2K1 | |
| SCHEMBL12521698 | 0.80 | CYP3A4 (0.44) | CYP3A4CYP2C9BRAFCYP2C19 | |
| SCHEMBL2888193 | 0.80 | CYP3A4 (0.61) | LRRK2CYP3A4CYP2C9BRAFCYP2C19 | |
| SCHEMBL857223 | 0.80 | LRRK2 (0.52) | LRRK2CYP3A4KDRMAP2K2MAP2K1 | |
| SCHEMBL3705714 | 0.79 | CYP3A4 (0.51) | CYP3A4CYP2C9BRAFCYP2C19 | |
| SCHEMBL2888690 | 0.79 | CYP3A4 (0.61) | CYP3A4CDK2CDK9CDK5CYP2C9 | |
| SCHEMBL857464 | 0.79 | LRRK2 (0.48) | LRRK2CYP3A4KDRMAP2K2MAP2K1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015075749-A1 | NOVEL PROCESSES FOR THE PREPARATION OF VEMURAFENIB | LAURUS LABS PRIVATE LIMITED (IN) | 2015-05-28 | — | — | WO | disclosed |