Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 15/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1435216 | 1.00 | CALCRL (0.40) | CALCRLTP53HCRTR2NOTUM | |
| SCHEMBL3696366 | 0.91 | CALCRL (0.36) | CALCRLTP53HCRTR2 | |
| SCHEMBL1822089 | 0.88 | CALCRL (0.35) | CALCRLTP53HCRTR2NOTUM | |
| SCHEMBL2524314 | 0.85 | TP53 (0.35) | CALCRLTP53HCRTR2NOTUM | |
| SCHEMBL3695493 | 0.82 | GAA (0.34) | CALCRLTP53 | |
| SCHEMBL15283788 | 0.81 | CHRNB2 (0.33) | CALCRLTP53 | |
| SCHEMBL5555027 | 0.81 | CALCRL (0.39) | CALCRLTP53 | |
| SCHEMBL3830821 | 0.81 | CALCRL (0.39) | CALCRLTP53 | |
| SCHEMBL5552436 | 0.80 | HSD11B1 (0.37) | CALCRL | |
| SCHEMBL1197732 | 0.80 | HSD11B1 (0.37) | CALCRL |
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 4 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-1802372-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2011-05-04 | — | — | EP | disclosed |
| EP-1804919-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2011-03-30 | — | — | EP | disclosed |
| US-7893052-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2011-02-22 | — | — | US | disclosed |