Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 19/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.54 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6226709 | 0.95 | CALCRL (0.55) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL6229403 | 0.94 | CALCRL (0.52) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL6227238 | 0.92 | CALCRL (0.57) | CALCRLCYP3A4 | |
| SCHEMBL6223544 | 0.92 | CALCRL (0.45) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL3278702 | 0.92 | CALCRL (0.64) | CALCRLCYP3A4 | |
| SCHEMBL6225497 | 0.92 | CALCRL (0.56) | CALCRLCYP3A4 | |
| SCHEMBL6224379 | 0.90 | CALCRL (0.54) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL6223280 | 0.90 | CALCRL (0.57) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL6222655 | 0.89 | CALCRL (0.58) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL4720840 | 0.89 | CALCRL (0.58) | CALCRLCYP3A4RAMP1 |
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-1558601-A1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004037811-A1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-06 | — | — | WO | disclosed |