Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.68 |
| ▸ | ACHE | P22303 | 3/20 | 0.59 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.58 |
| ▸ | CCR3 | P51677 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | DRD4 | P21917 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 2/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | CXCR3 | P49682 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL20607541 | 0.98 | SIGMAR1 (0.66) | SIGMAR1ACHEGNAI3CCR3ALDH1A1 | |
| SCHEMBL8315434 | 0.89 | ACHE (0.71) | SIGMAR1ACHECCR3ALDH1A1DRD2 | |
| SCHEMBL10153141 | 0.86 | ACHE (0.51) | SIGMAR1ACHEGNAI3CCR3ALDH1A1 | |
| SCHEMBL22728510 | 0.84 | ACHE (0.61) | SIGMAR1ACHECCR3ALDH1A1MEN1 | |
| SCHEMBL12620778 | 0.84 | SIGMAR1 (0.59) | SIGMAR1ACHEALDH1A1MEN1CYP2C9 | |
| SCHEMBL4951740 | 0.83 | SIGMAR1 (0.64) | SIGMAR1ACHECCR3ALDH1A1MEN1 | |
| SCHEMBL4951743 | 0.83 | SIGMAR1 (0.64) | SIGMAR1ACHECCR3ALDH1A1MEN1 | |
| SCHEMBL29001636 | 0.83 | CYP2D6 (0.57) | SIGMAR1ACHEALDH1A1MEN1CYP2C9 | |
| SCHEMBL7319631 | 0.82 | ACHE (0.62) | SIGMAR1ACHECCR3ALDH1A1MEN1 | |
| Piperazine SCHEMBL3435125 | 0.81 | SIGMAR1 (0.66) | SIGMAR1ACHECCR3ALDH1A1MEN1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-20100234361-A1 | SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-16 | — | — | US | disclosed |
| WO-2010048138-A1 | SYNTHESIS OF INTERMEDIATES USEFUL FOR THE PRODUCTION OF CERTAIN CGRP INHIBITORS AND INTERMEDIATES USED IN SUCH SYNTHESIS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-29 | — | — | WO | 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 |
| US-7696195-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-13 | — | — | US | 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 |
| US-20090111797-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-30 | — | — | US | disclosed |
| US-7491717-B2 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-02-17 | — | — | US | disclosed |
| US-7479488-B2 | Selected CGRP—antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-01-20 | — | — | 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 |
| US-20050256099-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-17 | — | — | US | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 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 | SIGMAR1 740/4885ACHE 1035/4885GNAI3 603/4885 |
| US-20050256099-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | CALCRL, CALCR, CALCA | SIGMAR1 525/4885ACHE 869/4885GNAI3 439/4885 |
| US-20090111797-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | CALCRL, CALCR, CALCA | SIGMAR1 740/4885ACHE 1035/4885GNAI3 603/4885 |
| US-20100249114-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | CALCRL, CALCR, CALCA | SIGMAR1 740/4885ACHE 1035/4885GNAI3 603/4885 |
| US-20100234361-A1 | SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | CALCRL, CALCR, CALCA | SIGMAR1 740/4885ACHE 1035/4885GNAI3 603/4885 |
“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.