Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 5/20 | 0.41 |
| ▸ | CALCRL | Q16602 | 9/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | OTUD7B | Q6GQQ9 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 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 | |
|---|---|---|---|---|
| SCHEMBL17506417 | 0.85 | CALCA (0.40) | CALCACALCRLCYP3A4CYP2D6TSHR | |
| SCHEMBL17524923 | 0.84 | CALCA (0.41) | CALCACALCRLHTR7OTUD7B | |
| SCHEMBL1700112 | 0.81 | CALCA (0.49) | CALCACALCRLOTUD7B | |
| SCHEMBL13806581 | 0.80 | CALCA (0.46) | CALCACALCRLOTUD7B | |
| SCHEMBL16235885 | 0.79 | CALCA (0.46) | CALCACALCRLOTUD7B | |
| SCHEMBL12655392 | 0.79 | CALCA (0.47) | CALCACALCRLOTUD7B | |
| SCHEMBL12400699 | 0.79 | CALCA (0.45) | CALCACALCRLOTUD7B | |
| SCHEMBL17524997 | 0.78 | EGLN1 (0.43) | CALCACALCRLHTR7 | |
| SCHEMBL17524906 | 0.78 | CALCA (0.40) | CALCACALCRLHTR7 | |
| SCHEMBL17525019 | 0.78 | MAPK1 (0.41) | CALCACALCRLCYP3A4CYP2D6TSHR |
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 |