Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10966475 | 0.86 | CYP1A2 (0.50) | CYP1A2HRH3GAAMAPTPDE4A | |
| SCHEMBL10967551 | 0.83 | MAPT (0.60) | CYP1A2GAAMAPTPDE4APDE4B | |
| SCHEMBL7306800 | 0.83 | HRH3 (0.62) | CYP1A2HRH3MAPTPDE4APDE4B | |
| SCHEMBL10969278 | 0.80 | CYP1A2 (0.49) | CYP1A2HRH3GAAMAPTPDE4A | |
| SCHEMBL3159466 | 0.77 | CYP1A2 (0.65) | CYP1A2MAPTPDE4APDE4BPDE4C | |
| SCHEMBL10353459 | 0.77 | CYP1A2 (0.74) | CYP1A2HRH3MAPTPDE4APDE4B | |
| SCHEMBL7296858 | 0.76 | PDE4A (0.56) | CYP1A2HRH3MAPTPDE4APDE4B | |
| Bromide SCHEMBL8110043 | 0.75 | HRH3 (0.63) | CYP1A2HRH3MAPTPDE4APDE4B | |
| SCHEMBL30745160 | 0.75 | XDH (0.59) | CYP1A2MAPTPDE4APDE4BPDE4C | |
| SCHEMBL8791883 | 0.75 | HRH3 (0.63) | CYP1A2HRH3MAPTPDE4APDE4B |
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 |
|---|---|---|---|---|---|---|---|
| US-5135932-A | 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE | DR. KARL THOMAE GMBH (DE) | 1992-08-04 | — | — | US | disclosed |
| EP-0400519-A1 | 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them | Dr. Karl Thomae GmbH (DE) | 1990-12-05 | — | — | EP | disclosed |