Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 13/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 7/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1420734 | 0.88 | GRIN2B (0.47) | GRIN2BGRIN1CYP2C9KCNH2 | |
| SCHEMBL1420737 | 0.88 | GRIN2B (0.47) | GRIN2BGRIN1CYP2C9KCNH2 | |
| SCHEMBL1085512 | 0.84 | CHRNB2 (0.43) | CHRM3CHRNB2CHRNA7CHRNA4CHRNA5 | |
| SCHEMBL1085086 | 0.84 | CHRNB2 (0.42) | CHRM3CHRNB2CHRNA7CHRNA4CHRNA5 | |
| SCHEMBL1085525 | 0.82 | CHRNB2 (0.44) | CHRM3CHRNB2CHRNA7CHRNA4CHRNA5 | |
| SCHEMBL1719488 | 0.81 | CHRNB2 (0.42) | CHRM3CHRNB2CHRNA7CHRNA4CHRNA5 | |
| SCHEMBL1085318 | 0.80 | CHRNB2 (0.40) | CHRM3CHRNB2CHRNA7CHRNA4CHRNA5 | |
| SCHEMBL1421384 | 0.80 | GRIN2B (0.52) | GRIN2BGRIN1CYP2C9KCNH2 | |
| SCHEMBL1085435 | 0.76 | CHRNB2 (0.42) | CHRM3CHRNB2CHRNA7CHRNA4CHRNA5 | |
| SCHEMBL1085174 | 0.75 | TRPV1 (0.47) | GRIN2BCHRM3 |
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-2297137-A1 | NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-03-23 | — | — | EP | disclosed |