Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 4/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | CALCRL | Q16602 | 7/20 | 0.35 |
| ▸ | ADM2 | Q7Z4H4 | 4/20 | 0.35 |
| ▸ | CALCB | P10092 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 3/20 | 0.34 |
| ▸ | JAK3 | P52333 | 3/20 | 0.34 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL17524984 | 0.91 | CALCRL (0.35) | CALCACALCRLADM2CALCB | |
| SCHEMBL17525112 | 0.83 | SCN9A (0.43) | CALCACRBNCALCRL | |
| SCHEMBL17524992 | 0.82 | CALCA (0.39) | CALCACRBNKCNH2 | |
| SCHEMBL17524906 | 0.81 | CALCA (0.40) | CALCACALCRLKCNH2 | |
| SCHEMBL17506417 | 0.78 | CALCA (0.40) | CALCACRBNCALCRLKCNH2CYP3A4 | |
| SCHEMBL17524937 | 0.78 | ME2 (0.40) | CALCACRBNCALCRLKCNH2 | |
| SCHEMBL17525060 | 0.75 | MAPT (0.39) | JAK1JAK3JAK2TYK2 | |
| SCHEMBL17524879 | 0.75 | HTR6 (0.34) | CALCA | |
| SCHEMBL17524997 | 0.74 | EGLN1 (0.43) | CALCACALCRLKCNH2 | |
| SCHEMBL17524875 | 0.74 | NPC1 (0.45) | CALCACALCRL |
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 |