Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 13/20 | 0.72 |
| ▸ | ROCK2 | O75116 | 12/20 | 0.72 |
| ▸ | AKT1 | P31749 | 5/20 | 0.48 |
| ▸ | AKT2 | P31751 | 1/20 | 0.47 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.47 |
| ▸ | AKT1S1 | Q96B36 | 1/20 | 0.47 |
| ▸ | CALCA | P06881 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5658082 | 0.89 | CYP3A4 (0.71) | CYP3A4ROCK2AKT1 | |
| SCHEMBL5659360 | 0.85 | CYP3A4 (0.57) | CYP3A4ROCK2CALCA | |
| SCHEMBL13229923 | 0.84 | CYP3A4 (0.82) | CYP3A4ROCK2AKT1 | |
| SCHEMBL13229924 | 0.84 | CYP3A4 (0.82) | CYP3A4ROCK2AKT1 | |
| SCHEMBL4587481 | 0.84 | CALCA (0.63) | CYP3A4ROCK2AKT1AKT1S1CALCA | |
| Hydrochloric Acid SCHEMBL2795681 | 0.83 | CYP3A4 (0.80) | CYP3A4ROCK2AKT1 | |
| Hydrochloric Acid SCHEMBL2796859 | 0.83 | CYP3A4 (0.80) | CYP3A4ROCK2AKT1 | |
| SCHEMBL3602598 | 0.82 | CYP3A4 (0.63) | CYP3A4ROCK2AKT1 | |
| SCHEMBL3594068 | 0.81 | ROCK2 (0.62) | CYP3A4ROCK2AKT1 | |
| SCHEMBL3604771 | 0.78 | ROCK2 (0.59) | CYP3A4ROCK2AKT1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 1053/4885ROCK2 4518/4885AKT1 4627/4885 |
“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.