Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3397031 | 0.82 | CHRNA4 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL5537141 | 0.82 | CHRNA4 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL4584160 | 0.78 | CHRM2 (0.35) | — | |
| SCHEMBL56234 | 0.78 | NR1H2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL29707388 | 0.78 | NR1H2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL2956489 | 0.76 | NR1H2 (0.45) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL14764516 | 0.74 | CHRM2 (0.41) | — | |
| SCHEMBL8329335 | 0.74 | CHRM2 (0.37) | — | |
| SCHEMBL8329981 | 0.74 | CHRM2 (0.37) | — | |
| SCHEMBL5777377 | 0.71 | S1PR5 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1525202-B1 | NOVEL 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2006-01-11 | — | — | EP | disclosed |
| EP-1525202-A1 | NOVEL 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES | Bayer HealthCare AG (DE) | 2005-04-27 | — | — | EP | disclosed |
| WO-2004009589-A1 | NOVEL 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2004-01-29 | — | — | WO | disclosed |