Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | PPM1B | O75688 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14356893 | 0.89 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL14944735 | 0.87 | ACE (0.35) | — | |
| SCHEMBL10073556 | 0.87 | ACE (0.35) | — | |
| SCHEMBL22613896 | 0.85 | CYP2C19 (0.33) | — | |
| SCHEMBL1297377 | 0.83 | CHRNB2 (0.54) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL7472913 | 0.83 | CHRNB2 (0.54) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL1297896 | 0.83 | CHRNB2 (0.54) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL7472907 | 0.83 | CHRNB2 (0.54) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL17710064 | 0.83 | CHRNB2 (0.54) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL5722414 | 0.79 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 |
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-3484868-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2020-11-25 | — | — | EP | disclosed |