Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ME2 | P23368 | 4/20 | 0.40 |
| ▸ | ME1 | P48163 | 4/20 | 0.40 |
| ▸ | ME3 | Q16798 | 4/20 | 0.40 |
| ▸ | CALCA | P06881 | 2/20 | 0.39 |
| ▸ | CALCRL | Q16602 | 6/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 4/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
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 | 0.87 | CALCA (0.40) | CALCACALCRLKCNH2HDAC1CRBN | |
| SCHEMBL17524992 | 0.86 | CALCA (0.39) | CALCAKCNH2CRBN | |
| SCHEMBL17524906 | 0.82 | CALCA (0.40) | CALCACALCRLKCNH2 | |
| SCHEMBL17524934 | 0.81 | CALCA (0.39) | CALCACALCRL | |
| SCHEMBL17525112 | 0.78 | SCN9A (0.43) | CALCACALCRLCRBN | |
| SCHEMBL17525014 | 0.78 | CALCA (0.38) | CALCACALCRLKCNH2CRBN | |
| SCHEMBL17524949 | 0.77 | CALCA (0.41) | CALCACALCRL | |
| SCHEMBL13806581 | 0.77 | CALCA (0.46) | CALCACALCRL | |
| SCHEMBL16235885 | 0.76 | CALCA (0.46) | CALCACALCRL | |
| SCHEMBL12655392 | 0.76 | CALCA (0.47) | 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 |