Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.43 |
| ▸ | CDK4 | P11802 | 12/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12425528 | 1.00 | CHRNB2 (0.43) | CHRNB2CHRNA4CDK4CDK1CHRNB4 | |
| SCHEMBL12426930 | 1.00 | CHRNB2 (0.43) | CHRNB2CHRNA4CDK4CDK1CHRNB4 | |
| SCHEMBL12426782 | 0.81 | CHRNB2 (0.43) | CHRNB2CHRNA4CDK4CHRNB4CHRNA3 | |
| SCHEMBL5366867 | 0.79 | CHRNB2 (0.67) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL5037172 | 0.78 | CHRNB2 (0.65) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL20037438 | 0.77 | HRH3 (0.45) | CHRNB2CHRNA4 | |
| SCHEMBL12425475 | 0.75 | CHRNB2 (0.43) | CHRNB2CHRNA4CDK4CDK1CHRNB4 | |
| SCHEMBL12425476 | 0.75 | CHRNB2 (0.43) | CHRNB2CHRNA4CDK4CDK1CHRNB4 | |
| SCHEMBL22650730 | 0.71 | ALOX5AP (0.40) | CHRNB2CHRNA4 | |
| SCHEMBL22650822 | 0.71 | CHRNB2 (0.37) | CHRNB2CHRNA4 |
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-2011101409-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2011-08-25 | — | — | WO | disclosed |