Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 7/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.45 |
| ▸ | PDE4A | P27815 | 2/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
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 SCHEMBL9741187 | 0.86 | PDE4D (0.48) | HTR1APDE4DPDE4APDE4BPDE4C | |
| SCHEMBL9206604 | 0.86 | HTR1A (0.55) | HTR1AMEN1KMT2AMAPTHTR2A | |
| SCHEMBL9215979 | 0.85 | PDE4D (0.48) | HTR1APDE4DPDE4APDE4BPDE4C | |
| Water SCHEMBL9740391 | 0.84 | PDE4D (0.47) | HTR1APDE4DPDE4APDE4BPDE4C | |
| SCHEMBL9205462 | 0.83 | HTR1A (0.45) | HTR1AMEN1HTTKMT2AMAPT | |
| SCHEMBL9216571 | 0.82 | PDE4D (0.49) | HTR1APDE4DPDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL9742003 | 0.81 | PDE4D (0.46) | HTR1APDE4DPDE4APDE4BPDE4C | |
| SCHEMBL9207276 | 0.81 | ABCB1 (0.47) | MEN1ALDH1A1KMT2AMAPT | |
| Hydrochloric Acid SCHEMBL9741109 | 0.81 | PDE4D (0.49) | HTR1APDE4DPDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL9740012 | 0.81 | PDE4D (0.48) | HTR1APDE4DPDE4APDE4BPDE4C |
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-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 |
| EP-0292840-A2 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-11-30 | — | — | EP | disclosed |