Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | BUB1 | O43683 | 13/20 | 0.41 |
| ▸ | PDE5A | O76074 | 3/20 | 0.39 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.37 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4425532 | 0.84 | BUB1 (0.45) | CHRM1BUB1PDE5A | |
| SCHEMBL4434101 | 0.82 | BUB1 (0.45) | CHRM1BUB1PDE5A | |
| SCHEMBL13865218 | 0.82 | BUB1 (0.48) | CHRM1BUB1PDE5A | |
| SCHEMBL4426683 | 0.75 | BUB1 (0.43) | CHRM1BUB1PDE5A | |
| SCHEMBL13865194 | 0.74 | BUB1 (0.45) | CHRM1BUB1PDE5A | |
| SCHEMBL8470221 | 0.73 | MAP4K1 (0.34) | — | |
| SCHEMBL13865183 | 0.73 | CYP2D6 (0.52) | CHRM1BUB1 | |
| SCHEMBL13865208 | 0.73 | BUB1 (0.48) | CHRM1BUB1 | |
| SCHEMBL13865201 | 0.73 | BUB1 (0.45) | CHRM1BUB1PDE5A | |
| SCHEMBL13865215 | 0.72 | BUB1 (0.53) | BUB1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934311-B1 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES | BAYER HEALTHCARE AG (DE) | 2009-05-13 | — | — | EP | disclosed |
| EP-1686127-A1 | New heterocyclylmethyl-substituted pyrazole derivatives and their use for treating cardiovascular diseases | Bayer HealthCare AG (DE) | 2006-08-02 | — | — | EP | disclosed |
| US-6462068-B1 | CARDIOVASCULAR DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| US-6414009-B1 | CARDIOVASCULAR DISORDERS; ANTICOAGULANTS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-07-02 | — | — | US | disclosed |
| US-6410740-B1 | CYCLIZATION OF THE CORRESPONDING AMIDE | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-25 | — | — | US | disclosed |
| US-6387940-B1 | CARDIOVASCULAR DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-14 | — | — | US | disclosed |
| US-6166027-A | Heterocyclylmethyl-substituted pyrazole derivatives and their use for treating cardiovascular diseases | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-26 | — | — | US | disclosed |
| CN-1241188-A | Heterocyclylmethyl-substed pyrazol derivs. | BAYER AG (DE) | 2000-01-12 | — | — | CN | disclosed |