Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 20/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.34 |
| ▸ | CALCA | P06881 | 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 | |
|---|---|---|---|---|
| SCHEMBL2524339 | 0.85 | CALCRL (0.37) | CALCRLRAMP1 | |
| SCHEMBL2527805 | 0.85 | CALCRL (0.50) | CALCRLKCNH2 | |
| SCHEMBL2529785 | 0.83 | CALCRL (0.40) | CALCRLKCNH2RAMP1 | |
| SCHEMBL2530330 | 0.82 | CALCRL (0.60) | CALCRLKCNH2RAMP1CALCA | |
| SCHEMBL2530265 | 0.81 | CALCRL (0.54) | CALCRLKCNH2RAMP1CALCA | |
| SCHEMBL2527632 | 0.81 | CALCRL (0.54) | CALCRLKCNH2RAMP1CALCA | |
| SCHEMBL2530738 | 0.81 | CALCRL (0.54) | CALCRLKCNH2RAMP1CALCA | |
| SCHEMBL2530687 | 0.81 | CALCRL (0.54) | CALCRLKCNH2RAMP1CALCA | |
| SCHEMBL2528473 | 0.81 | CALCRL (0.54) | CALCRLKCNH2RAMP1CALCA | |
| SCHEMBL12219388 | 0.81 | CALCRL (0.54) | CALCRLKCNH2RAMP1CALCA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8039460-B2 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine | MERCK SHARP & DOHME CORP. (US) | 2011-10-18 | — | — | US | disclosed |
| EP-1796678-B1 | CARBOXAMIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-04-14 | — | — | EP | disclosed |