Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 9/20 | 0.45 |
| ▸ | HTR1A | P08908 | 6/20 | 0.45 |
| ▸ | HTR2A | P28223 | 6/20 | 0.45 |
| ▸ | HTR6 | P50406 | 6/20 | 0.45 |
| ▸ | CALCA | P06881 | 4/20 | 0.40 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.37 |
| ▸ | CALCRL | Q16602 | 4/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | ADAMTS1 | Q9UHI8 | 1/20 | 0.35 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17525077 | 0.89 | HTR7 (0.46) | HTR7HTR1AHTR2AHTR6CALCA | |
| SCHEMBL17524935 | 0.87 | GAA (0.44) | HTR7HTR1AHTR2AHTR6CALCA | |
| SCHEMBL17524940 | 0.87 | CALCA (0.40) | HTR7HTR1AHTR2AHTR6CALCA | |
| SCHEMBL17524933 | 0.84 | CALCA (0.40) | HTR7HTR1AHTR2AHTR6CALCA | |
| SCHEMBL17524923 | 0.83 | CALCA (0.41) | HTR7HTR1AHTR2AHTR6CALCA | |
| SCHEMBL17524942 | 0.82 | ADRA2B (0.40) | HTR7HTR1AHTR2AHTR6CALCA | |
| SCHEMBL17524910 | 0.82 | EGLN1 (0.43) | HTR7HTR1AHTR2AHTR6CALCA | |
| SCHEMBL17524873 | 0.81 | HTR6 (0.38) | HTR7HTR1AHTR2AHTR6CALCA | |
| SCHEMBL17525019 | 0.80 | MAPK1 (0.41) | HTR7HTR1AHTR2AHTR6CALCA | |
| SCHEMBL17524957 | 0.80 | CALCA (0.38) | HTR7HTR1AHTR2AHTR6CALCA |
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 |