Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 2/20 | 0.47 |
| ▸ | CALCRL | Q16602 | 13/20 | 0.46 |
| ▸ | ADM2 | Q7Z4H4 | 5/20 | 0.45 |
| ▸ | RAMP1 | O60894 | 4/20 | 0.44 |
| ▸ | CALCB | P10092 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17881436 | 1.00 | CALCA (0.47) | CALCACALCRLADM2RAMP1CALCB | |
| SCHEMBL13272686 | 0.86 | ADM2 (0.49) | CALCRLADM2RAMP1CALCB | |
| SCHEMBL2056346 | 0.85 | CALCA (0.48) | CALCACALCRLADM2RAMP1CALCB | |
| SCHEMBL24962033 | 0.85 | CALCA (0.48) | CALCACALCRLADM2RAMP1CALCB | |
| SCHEMBL837503 | 0.85 | ADM2 (0.49) | CALCACALCRLADM2RAMP1CALCB | |
| SCHEMBL17881601 | 0.84 | ADM2 (0.55) | CALCRLADM2CALCB | |
| SCHEMBL260489 | 0.84 | ADM2 (0.55) | CALCRLADM2CALCB | |
| SCHEMBL1818060 | 0.84 | ADM2 (0.55) | CALCRLADM2CALCB | |
| SCHEMBL22796652 | 0.82 | CALCA (0.48) | CALCACALCRLADM2RAMP1CALCB | |
| SCHEMBL22774650 | 0.82 | CALCA (0.48) | CALCACALCRLADM2RAMP1CALCB |
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 |
|---|---|---|---|---|---|---|---|
| US-8143266-B2 | Aryl heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme Corp (US) | 2012-03-27 | — | — | US | disclosed |