Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 14/20 | 0.47 |
| ▸ | DDR1 | Q08345 | 12/20 | 0.46 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9903127 | 0.87 | KIT (0.50) | KITDDR1BRAFDDR2 | |
| SCHEMBL1991466 | 0.77 | KIT (0.51) | KITDDR1BRAFDDR2GRM5 | |
| SCHEMBL9902753 | 0.75 | KIT (0.46) | KITDDR1BRAFDDR2 | |
| SCHEMBL1992852 | 0.75 | GRM5 (0.45) | KITDDR1GRM5 | |
| SCHEMBL9902904 | 0.74 | BRAF (0.46) | KITDDR1BRAFDDR2 | |
| SCHEMBL9903131 | 0.74 | KIT (0.56) | KITDDR1DDR2GRM5 | |
| SCHEMBL9903113 | 0.73 | KIT (0.44) | KITDDR1BRAFDDR2GRM5 | |
| SCHEMBL1990213 | 0.73 | KIT (0.46) | KITDDR1BRAFDDR2 | |
| SCHEMBL9902452 | 0.71 | CYP2A6 (0.49) | KITDDR1BRAFDDR2 | |
| SCHEMBL15019947 | 0.71 | KIT (0.37) | KITDDR1BRAF |
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-2513102-A1 | ETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073172-A1 | ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |