Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 2/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 14/20 | 0.47 |
| ▸ | DHCR7 | Q9UBM7 | 2/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9215780 | 0.84 | DRD2 (0.40) | PDE4BABCB1 | |
| Hydrochloric Acid SCHEMBL9739345 | 0.84 | HRH3 (0.40) | PDE4B | |
| SCHEMBL9208353 | 0.83 | HRH3 (0.42) | PDE4B | |
| SCHEMBL9217265 | 0.83 | DRD4 (0.43) | PDE4BDRD4DRD3 | |
| Hydrochloric Acid SCHEMBL9739030 | 0.79 | HRH3 (0.38) | PDE4B | |
| SCHEMBL9216605 | 0.79 | HRH3 (0.37) | PDE4B | |
| SCHEMBL9624683 | 0.76 | ABCB1 (0.55) | PDE4BABCB1DHCR7ABCG2DRD4 | |
| SCHEMBL9205342 | 0.74 | KDM4E (0.38) | DRD3 | |
| SCHEMBL9212875 | 0.73 | HRH3 (0.47) | — | |
| SCHEMBL9211758 | 0.71 | PDE4B (0.48) | PDE4BABCB1DRD4DRD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0292840-B1 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | THOMAE GMBH DR K (DE) | 1995-08-09 | — | — | EP | disclosed |
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |