Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 4/20 | 0.40 |
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
| ▸ | CALCRL | Q16602 | 6/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 4/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL17524992 | 0.87 | CALCA (0.39) | CALCAHTR7KCNH2 | |
| SCHEMBL17524934 | 0.87 | CALCA (0.39) | CALCACALCRLPTPN11 | |
| SCHEMBL17524997 | 0.86 | EGLN1 (0.43) | CALCACALCRLHTR7EGLN1KCNH2 | |
| SCHEMBL17506417 | 0.83 | CALCA (0.40) | CALCACALCRLHTR7KCNH2 | |
| SCHEMBL17524937 | 0.82 | ME2 (0.40) | CALCACALCRLKCNH2 | |
| SCHEMBL17525014 | 0.81 | CALCA (0.38) | CALCACALCRLKCNH2 | |
| SCHEMBL17525112 | 0.81 | SCN9A (0.43) | CALCASMOCALCRLPTPN11 | |
| SCHEMBL1700112 | 0.79 | CALCA (0.49) | CALCACALCRL | |
| SCHEMBL17524949 | 0.78 | CALCA (0.41) | CALCACALCRLHTR7 | |
| SCHEMBL13806581 | 0.78 | CALCA (0.46) | CALCACALCRLOPRM1OPRL1 |
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 |