Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 19/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CALCB | P10092 | 1/20 | 0.34 |
| ▸ | ADM2 | Q7Z4H4 | 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 | |
|---|---|---|---|---|
| SCHEMBL1895077 | 0.85 | CALCRL (0.51) | CALCRLCALCBADM2 | |
| SCHEMBL13792135 | 0.84 | CALCRL (0.53) | CALCRLCYP3A4 | |
| SCHEMBL13791610 | 0.81 | CALCRL (0.51) | CALCRLCYP3A4 | |
| SCHEMBL13804217 | 0.78 | CALCRL (0.49) | CALCRLCYP3A4 | |
| SCHEMBL14193675 | 0.77 | CALCRL (0.49) | CALCRLCYP3A4 | |
| SCHEMBL1890604 | 0.77 | CALCRL (0.43) | CALCRLCYP3A4 | |
| SCHEMBL5104780 | 0.75 | CALCRL (0.60) | CALCRLCYP3A4 | |
| SCHEMBL2211675 | 0.74 | CALCRL (0.62) | CALCRLCYP3A4 | |
| SCHEMBL4048894 | 0.74 | CALCRL (0.63) | CALCRLCYP3A4 | |
| SCHEMBL436944 | 0.74 | CALCRL (0.63) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2008073251-A1 | CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-06-19 | — | — | WO | disclosed |