Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CALCRL | Q16602 | 4/20 | 0.47 |
| ▸ | CALCA | P06881 | 14/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5659283 | 0.96 | CYP3A4 (0.51) | CYP3A4CALCRLCALCAROCK2 | |
| SCHEMBL4586079 | 0.92 | CYP3A4 (0.58) | CYP3A4CALCA | |
| SCHEMBL5660676 | 0.91 | CYP3A4 (0.51) | CYP3A4CALCAROCK2 | |
| SCHEMBL5661665 | 0.90 | CALCRL (0.56) | CYP3A4CALCRLCALCA | |
| SCHEMBL5659682 | 0.90 | CYP3A4 (0.47) | CYP3A4CALCRLCALCAROCK2 | |
| SCHEMBL5661067 | 0.89 | CYP3A4 (0.51) | CYP3A4CALCRLCALCA | |
| SCHEMBL5657196 | 0.89 | CALCA (0.48) | CYP3A4CALCRLCALCAROCK2 | |
| SCHEMBL5658528 | 0.89 | CYP3A4 (0.47) | CYP3A4CALCAROCK2 | |
| SCHEMBL5659969 | 0.87 | CALCA (0.49) | CYP3A4CALCRLCALCA | |
| SCHEMBL5658251 | 0.87 | CALCA (0.56) | CYP3A4CALCRLCALCA |
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 |
|---|---|---|---|---|---|---|---|
| US-7205294-B2 | Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-04-17 | — | — | US | disclosed |
| US-20050227968-A1 | Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-13 | — | — | 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 (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-20050227968-A1 | Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions | BDKRB1, BDKRB2, CALCRL | CYP3A4 1053/4885CALCRL 3/4885CALCA 7/4885 |
“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.