Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | HTR1F | P30939 | 1/20 | 0.32 |
| ▸ | SCD | O00767 | 2/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14155125 | 0.84 | KMO (0.46) | CYP11B1CYP11B2MAPK1 | |
| SCHEMBL14155122 | 0.81 | CYP11B1 (0.37) | CYP11B1CYP11B2 | |
| SCHEMBL25859519 | 0.68 | HTR2C (0.57) | CYP11B1CYP11B2HTR2AHTR2CADRA2A | |
| SCHEMBL30544978 | 0.68 | HTR2A (0.57) | CYP11B1CYP11B2HTR2AHTR2CADRA2A | |
| SCHEMBL22357749 | 0.66 | HTR2A (0.36) | HTR2AHTR2CADRA2AADRA2BADRA2C | |
| SCHEMBL30816458 | 0.65 | HTR2A (0.57) | CYP11B1CYP11B2HTR2AHTR2CADRA2A | |
| SCHEMBL27165368 | 0.65 | HTR2A (0.57) | CYP11B1CYP11B2HTR2AHTR2CADRA2A | |
| SCHEMBL2594426 | 0.65 | HTR2A (0.53) | HTR2AHTR2CSCD | |
| SCHEMBL29520619 | 0.64 | HTR2A (0.65) | CYP11B1CYP11B2HTR2AHTR2CADRA2A | |
| Hydrochloric Acid SCHEMBL8854161 | 0.64 | CYP11B1 (0.41) | CYP11B1CYP11B2HTR2AHTR2CADRA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1827427-B1 | ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION | SOLVAY PHARM BV (NL) | 2008-07-23 | — | — | EP | disclosed |