Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 18/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.48 |
| ▸ | CALCA | P06881 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4719035 | 0.94 | CALCRL (0.54) | CALCRLCYP3A4 | |
| SCHEMBL3310803 | 0.92 | CALCRL (0.58) | CALCRLCYP3A4CALCA | |
| SCHEMBL4720343 | 0.92 | CALCRL (0.52) | CALCRLCYP3A4CALCA | |
| SCHEMBL4717171 | 0.87 | CALCRL (0.64) | CALCRLCYP3A4 | |
| SCHEMBL4718244 | 0.87 | CALCRL (0.58) | CALCRLCYP3A4 | |
| SCHEMBL3316930 | 0.86 | CALCRL (0.64) | CALCRLCYP3A4 | |
| SCHEMBL4717056 | 0.86 | CALCRL (0.56) | CALCRLCYP3A4 | |
| SCHEMBL6223278 | 0.85 | CALCRL (0.54) | CALCRLCYP3A4CALCA | |
| SCHEMBL3311395 | 0.84 | CALCRL (0.58) | CALCRL | |
| SCHEMBL4721310 | 0.84 | CALCRL (0.52) | CALCRLCYP3A4CALCA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1558600-B1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA (DE) | 2008-05-07 | — | — | EP | claimed |
| EP-1558600-B1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA (DE) | 2008-05-07 | — | — | EP | disclosed |