Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 18/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 17/20 | 0.68 |
| ▸ | CALCA | P06881 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL6219537 | 0.96 | CALCRL (0.69) | CALCRLCYP3A4CALCA | |
| SCHEMBL3308711 | 0.94 | CALCRL (0.77) | CALCRLCYP3A4 | |
| SCHEMBL3314717 | 0.94 | CALCRL (0.69) | CALCRLCYP3A4CALCA | |
| SCHEMBL3311366 | 0.93 | CALCRL (0.68) | CALCRLCYP3A4CALCA | |
| SCHEMBL6219499 | 0.91 | CALCRL (0.68) | CALCRLCYP3A4 | |
| SCHEMBL3311295 | 0.90 | CALCRL (0.66) | CALCRLCYP3A4CALCA | |
| SCHEMBL3309749 | 0.90 | CALCRL (0.63) | CALCRLCYP3A4CALCA | |
| SCHEMBL3315971 | 0.90 | CALCRL (0.64) | CALCRLCYP3A4CALCA | |
| SCHEMBL3311313 | 0.89 | CALCRL (0.64) | CALCRLCYP3A4CALCA | |
| SCHEMBL3307050 | 0.89 | CALCRL (0.63) | 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-A1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-08-03 | — | — | EP | claimed |
| WO-2004037810-A1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-06 | — | — | WO | claimed |