Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 4/20 | 0.38 |
| ▸ | CALCA | P06881 | 8/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 3/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | HTR7 | P34969 | 3/20 | 0.35 |
| ▸ | TRPC6 | Q9Y210 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | CALCB | P10092 | 1/20 | 0.33 |
| ▸ | ADM2 | Q7Z4H4 | 1/20 | 0.33 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17524928 | 0.89 | HTR6 (0.37) | HTR6CALCAEGLN1HTR1AHTR2A | |
| SCHEMBL17524933 | 0.87 | CALCA (0.40) | HTR6CALCAEGLN1HTR1AHTR2A | |
| SCHEMBL17524951 | 0.87 | LTA4H (0.38) | HTR6CALCAHTR1AHTR2AHTR7 | |
| SCHEMBL17524942 | 0.85 | ADRA2B (0.40) | HTR6CALCAEGLN1HTR1AHTR2A | |
| SCHEMBL17524946 | 0.83 | CALCRL (0.38) | HTR6CALCAHTR1AHTR2AHTR7 | |
| SCHEMBL17524957 | 0.83 | CALCA (0.38) | HTR6CALCAHTR1AHTR2AHTR7 | |
| SCHEMBL17524879 | 0.82 | HTR6 (0.34) | HTR6CALCAEGLN1 | |
| SCHEMBL17524940 | 0.81 | CALCA (0.40) | HTR6CALCAHTR1AHTR2AHTR7 | |
| SCHEMBL17524935 | 0.81 | GAA (0.44) | HTR6CALCAEGLN1HTR1AHTR2A | |
| SCHEMBL17524938 | 0.81 | HTR7 (0.45) | HTR6CALCAHTR1AHTR2AHTR7 |
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 |