Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | CALCA | P06881 | 7/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 5/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17525080 | 0.90 | LRRK2 (0.39) | CALCALRRK2HTR6HTR1AHTR2A | |
| SCHEMBL17524942 | 0.87 | ADRA2B (0.40) | CALCAHTR6HTR1AHTR2AHTR7 | |
| SCHEMBL17524873 | 0.87 | HTR6 (0.38) | CALCAHTR6HTR1AHTR2AHTR7 | |
| SCHEMBL17524933 | 0.85 | CALCA (0.40) | CALCAHTR6HTR1AHTR2AHTR7 | |
| SCHEMBL17524957 | 0.85 | CALCA (0.38) | CALCAHTR6HTR1AHTR2AHTR7 | |
| SCHEMBL17524946 | 0.85 | CALCRL (0.38) | CALCAHTR6HTR1AHTR2AHTR7 | |
| SCHEMBL17524938 | 0.80 | HTR7 (0.45) | CALCAHTR6HTR1AHTR2AHTR7 | |
| SCHEMBL17524935 | 0.80 | GAA (0.44) | CALCAHTR6HTR1AHTR2AHTR7 | |
| SCHEMBL17524940 | 0.80 | CALCA (0.40) | CALCAHTR6HTR1AHTR2AHTR7 | |
| SCHEMBL17524928 | 0.78 | HTR6 (0.37) | CALCAHTR6HTR1AHTR2AHTR7 |
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-2016022644-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |