Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 4/20 | 0.51 |
| ▸ | AURKA | O14965 | 2/20 | 0.50 |
| ▸ | SYK | P43405 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 2/20 | 0.44 |
| ▸ | CDK4 | P11802 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3426624 | 0.76 | BRAF (0.60) | BRAFAURKASYKCDK5CDK5R1 | |
| SCHEMBL1848865 | 0.72 | PTK2 (0.42) | AURKASYKCDK5NPC1RAB9A | |
| SCHEMBL1866447 | 0.71 | BRAF (0.59) | BRAFSYKCHEK1NTRK2 | |
| SCHEMBL12671174 | 0.70 | BRAF (0.45) | BRAF | |
| SCHEMBL13225903 | 0.70 | BRAF (0.41) | BRAFIGF1R | |
| SCHEMBL9550840 | 0.69 | AURKA (0.64) | AURKASYKCDK5CDK5R1MEN1 | |
| SCHEMBL3040980 | 0.69 | BRAF (0.69) | BRAFCDK4CCND1CCND2CCND3 | |
| SCHEMBL5309393 | 0.68 | RIPK2 (0.57) | BRAFMEN1KMT2AMAPTNPC1 | |
| SCHEMBL1868898 | 0.68 | BRAF (0.45) | BRAFAURKASYKCDK5CDK5R1 | |
| SCHEMBL3425626 | 0.68 | BRAF (1.00) | BRAF |
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-2323986-A2 | HETOEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2011-05-25 | — | — | EP | disclosed |