Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 14/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1890604 | 0.83 | CALCRL (0.43) | CALCRLCYP3A4 | |
| SCHEMBL12511950 | 0.76 | CALCRL (0.49) | CALCRLCYP3A4 | |
| SCHEMBL13792063 | 0.75 | CALCRL (0.49) | CALCRLCYP3A4 | |
| SCHEMBL2213073 | 0.75 | CALCRL (0.49) | CALCRLCYP3A4 | |
| Hydrochloric Acid SCHEMBL1892110 | 0.74 | CALCRL (0.49) | CALCRLCYP3A4 | |
| Hydrochloric Acid SCHEMBL1892113 | 0.74 | CALCRL (0.49) | CALCRLCYP3A4 | |
| SCHEMBL3880263 | 0.66 | CALCRL (0.80) | CALCRLCYP3A4 | |
| SCHEMBL3880272 | 0.66 | CALCRL (0.80) | CALCRLCYP3A4 | |
| SCHEMBL14385937 | 0.65 | CALCRL (0.61) | CALCRLCYP3A4 | |
| SCHEMBL3887030 | 0.65 | CALCRL (0.60) | CALCRLCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2091533-B1 | CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-11-28 | — | — | EP | disclosed |