Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.44 |
| ▸ | PDE4A | P27815 | 2/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.42 |
| ▸ | HTR1D | P28221 | 2/20 | 0.42 |
| ▸ | HTR1B | P28222 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9742174 | 0.87 | HTR1A (0.43) | HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL9216571 | 0.84 | PDE4D (0.49) | HTR1APDE4DPDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL9740012 | 0.82 | PDE4D (0.48) | HTR1APDE4DPDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL9207604 | 0.81 | HTR1A (0.52) | HTR1APDE4DHTR1DHTR1BDRD2 | |
| SCHEMBL9215863 | 0.79 | BRD4 (0.40) | PDE4D | |
| Hydrochloric Acid SCHEMBL9741187 | 0.79 | PDE4D (0.48) | HTR1APDE4DPDE4APDE4BPDE4C | |
| SCHEMBL9215979 | 0.79 | PDE4D (0.48) | HTR1APDE4DPDE4APDE4BPDE4C | |
| SCHEMBL10894643 | 0.79 | HCN4 (0.48) | PDE4DPDE4APDE4BPDE4C | |
| Water SCHEMBL9740391 | 0.78 | PDE4D (0.47) | HTR1APDE4DPDE4APDE4BPDE4C | |
| SCHEMBL9739670 | 0.78 | HCN4 (0.55) | HTR1A |
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 |