Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | MRE11 | P49959 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 5/20 | 0.38 |
| ▸ | THRA | P10827 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TTR | P02766 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14032563 | 1.00 | ALDH1A1 (0.41) | ALDH1A1SLC7A5TDP1CASRMRE11 | |
| SCHEMBL5107901 | 1.00 | ALDH1A1 (0.41) | ALDH1A1SLC7A5TDP1CASRMRE11 | |
| Hydrochloric Acid SCHEMBL5107894 | 0.99 | ALDH1A1 (0.43) | ALDH1A1SLC7A5TDP1CASRMRE11 | |
| Hydrochloric Acid SCHEMBL5107895 | 0.99 | ALDH1A1 (0.43) | ALDH1A1SLC7A5TDP1CASRMRE11 | |
| SCHEMBL5115944 | 0.90 | ALDH1A1 (0.46) | ALDH1A1SLC7A5THRBTHRAMEN1 | |
| SCHEMBL5115950 | 0.90 | ALDH1A1 (0.46) | ALDH1A1SLC7A5THRBTHRAMEN1 | |
| Hydrochloric Acid SCHEMBL5776200 | 0.88 | ALDH1A1 (0.48) | ALDH1A1SLC7A5THRBTHRAMEN1 | |
| Hydrochloric Acid SCHEMBL5776197 | 0.88 | ALDH1A1 (0.48) | ALDH1A1SLC7A5THRBTHRAMEN1 | |
| SCHEMBL23387531 | 0.84 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL30611522 | 0.84 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2ALMNAMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7528129-B2 | CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-05 | — | — | US | disclosed |
| EP-1863799-A1 | CGRP-ANTAGONISTS, PROCESS FOR THEIR PREPARATION AS WELL AS THEIR USE AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2007-12-12 | — | — | EP | disclosed |
| EP-1770091-A1 | CGRP-antagonists, process for their preparation as well as their use as medicaments | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2007-04-04 | — | — | EP | disclosed |
| US-20060252931-A1 | New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-11-09 | — | — | US | disclosed |
| WO-2006100009-A1 | CGRP ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-09-28 | — | — | 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 (1 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-20060252931-A1 | New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | CALCRL, CALCR, CALCA | ALDH1A1 1872/4885SLC7A5 957/4885TDP1 1021/4885 |
“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.