Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2165043 | 1.00 | ALDH1A1 (0.43) | ALDH1A1NPSR1KDM4ECCR2FDPS | |
| SCHEMBL2166179 | 0.81 | HPGD (0.41) | ALDH1A1KDM4EMAPTHPGDGAA | |
| SCHEMBL2166173 | 0.81 | HPGD (0.41) | ALDH1A1KDM4EMAPTHPGDGAA | |
| SCHEMBL1205603 | 0.78 | KDM4E (0.33) | ALDH1A1KDM4ECA2CA1MAPT | |
| SCHEMBL1205600 | 0.78 | KDM4E (0.33) | ALDH1A1KDM4ECA2CA1MAPT | |
| SCHEMBL2163986 | 0.78 | MCL1 (0.40) | ALDH1A1KDM4EHPGDCYP3A4ALOX15 | |
| SCHEMBL2163990 | 0.78 | MCL1 (0.40) | ALDH1A1KDM4EHPGDCYP3A4ALOX15 | |
| SCHEMBL9917301 | 0.77 | CYP3A4 (0.48) | ALDH1A1NPSR1KDM4ECCR2FDPS | |
| SCHEMBL13599422 | 0.74 | SLC6A2 (0.57) | ALDH1A1NPSR1KDM4ECCR2FDPS | |
| SCHEMBL1403495 | 0.74 | CA2 (0.65) | ALDH1A1NPSR1KDM4ECCR2CA2 |
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 4 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 |
| 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 |
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 | ALDH1A1 1335/4885NPSR1 79/4885KDM4E 3751/4885 |
| US-20100249114-A1 | Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions | CALCRL, CALCR, CALCA | ALDH1A1 1335/4885NPSR1 79/4885KDM4E 3751/4885 |
“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.