Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 15/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 15/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 14/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 14/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL651864 | 0.84 | CHRNB2 (0.71) | HRH4CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL651863 | 0.84 | CHRNB2 (0.71) | HRH4CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL651862 | 0.84 | CHRNB2 (0.71) | HRH4CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL649750 | 0.83 | CHRNB2 (0.69) | HRH4CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL649751 | 0.83 | CHRNB2 (0.69) | HRH4CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL649752 | 0.83 | CHRNB2 (0.69) | HRH4CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL652303 | 0.77 | CHRNB2 (0.70) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL652305 | 0.77 | CHRNB2 (0.70) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL652304 | 0.77 | CHRNB2 (0.70) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL650446 | 0.76 | CHRNB2 (0.68) | CHRNB2CHRNA4CHRNB4CHRNA3 |
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 |