Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB2 | Q96IY4 | 9/20 | 0.49 |
| ▸ | CPB1 | P15086 | 3/20 | 0.49 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 2/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3091981 | 0.84 | CPB2 (0.59) | CPB2CPB1NOS3NOS1NOS2 | |
| SCHEMBL3091969 | 0.84 | CPB2 (0.59) | CPB2CPB1NOS3NOS1NOS2 | |
| SCHEMBL2165245 | 0.80 | SLC7A5 (0.36) | SMN1; SMN2KDM4EALDH1A1POLBGAA | |
| SCHEMBL1205596 | 0.74 | CA12 (0.36) | CPB2NOS3NOS1NOS2SMN1; SMN2 | |
| SCHEMBL2163978 | 0.74 | L3MBTL1 (0.41) | KDM4EALDH1A1POLBMEN1KMT2A | |
| SCHEMBL27667737 | 0.72 | CPB2 (0.56) | CPB2CPB1NOS3NOS1NOS2 | |
| SCHEMBL4013708 | 0.72 | CPB2 (0.56) | CPB2CPB1 | |
| SCHEMBL4510515 | 0.71 | CFTR (0.35) | — | |
| SCHEMBL4494498 | 0.70 | ALDH1A1 (0.46) | KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL22796661 | 0.70 | CALCA (0.40) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7985747-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-26 | — | — | US | disclosed |
| US-20100249114-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-30 | — | — | US | disclosed |
| US-7700598-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-20 | — | — | US | disclosed |
| EP-2108648-A1 | Selected CGRP antagonists, method for their manufacture and use as medicines | Boehringer Ingelheim International GmbH (DE) | 2009-10-14 | — | — | EP | disclosed |
| EP-1732917-B8 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INT (DE) | 2009-09-09 | — | — | EP | disclosed |
| EP-1732917-B1 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2009-07-29 | — | — | EP | disclosed |
| US-20090176770-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-07-09 | — | — | US | disclosed |
| EP-1740577-A2 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-10 | — | — | EP | disclosed |
| EP-1732917-A1 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005103037-A2 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |
| WO-2005092880-A1 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-06 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090176770-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | CALCRL, CALCR, CALCA | CPB2 3293/4885CPB1 2925/4885NOS3 1838/4885 |
| US-20100249114-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | CALCRL, CALCR, CALCA | CPB2 3293/4885CPB1 2925/4885NOS3 1838/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.