Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
| ▸ | HTR5A | P47898 | 3/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | HTR1D | P28221 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | HTR3A | P46098 | 2/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18668694 | 0.80 | MTNR1A (0.46) | HTR2A | |
| SCHEMBL18668619 | 0.79 | DRD2 (0.38) | SRD5A1DRD4HTR2AHTR2CFFAR4 | |
| SCHEMBL10841342 | 0.77 | AR (0.43) | ESR1ESR2SRD5A1HTR5AADRA2A | |
| SCHEMBL6194447 | 0.77 | TRPM5 (0.43) | ESR1ESR2SRD5A1HTR2AHTR2C | |
| SCHEMBL6196313 | 0.77 | ESR1 (0.39) | ESR1ESR2SRD5A1HTR5AADRA2A | |
| SCHEMBL18668659 | 0.77 | MTNR1A (0.38) | DRD4 | |
| SCHEMBL4763545 | 0.72 | ITGB3 (0.40) | ESR1ESR2SRD5A1AHRFFAR4 | |
| SCHEMBL10841091 | 0.68 | HTR2C (0.41) | ESR1ESR2SRD5A1HTR5AADRA2A | |
| SCHEMBL29659975 | 0.68 | HTR2C (0.41) | ESR1ESR2SRD5A1HTR5AADRA2A | |
| SCHEMBL6193578 | 0.67 | CMA1 (0.39) | SRD5A1HTR5AADRA2AADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017053360-A1 | BICYCLIC AND TRICYCLIC CAP BEARING MERCAPTOACETAMIDE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2017-03-30 | — | — | WO | disclosed |