Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 1/20 | 0.60 |
| ▸ | CALCRL | Q16602 | 18/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 16/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL14016933 | 0.96 | CALCA (0.65) | CALCACALCRLCYP3A4 | |
| SCHEMBL14017063 | 0.95 | CALCRL (0.58) | CALCACALCRLCYP3A4 | |
| SCHEMBL13331687 | 0.94 | CALCRL (0.58) | CALCACALCRLCYP3A4 | |
| SCHEMBL14016744 | 0.91 | CALCRL (0.70) | CALCRLCYP3A4 | |
| SCHEMBL14017026 | 0.90 | CALCA (0.61) | CALCACALCRLCYP3A4 | |
| SCHEMBL3961490 | 0.90 | CALCA (0.70) | CALCACALCRLCYP3A4 | |
| SCHEMBL13713222 | 0.90 | CALCA (0.57) | CALCACALCRLCYP3A4 | |
| SCHEMBL13331861 | 0.90 | CALCA (0.57) | CALCACALCRLCYP3A4 | |
| SCHEMBL13713157 | 0.90 | CALCRL (0.56) | CALCACALCRLCYP3A4 | |
| SCHEMBL3309830 | 0.89 | CALCRL (0.65) | CALCACALCRLCYP3A4 |
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-7439237-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-10-21 | — | — | US | disclosed |