Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 16/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5660671 | 0.89 | ROCK2 (0.44) | ROCK2CYP3A4MAPK1ROCK1CDC7 | |
| SCHEMBL5658961 | 0.80 | ROCK2 (0.41) | ROCK2CYP3A4MAPK1ROCK1CDC7 | |
| SCHEMBL5659149 | 0.80 | ACACB (0.42) | ROCK2CYP3A4CDC7 | |
| SCHEMBL5661183 | 0.80 | ACACB (0.42) | ROCK2CYP3A4CDC7 | |
| SCHEMBL5661005 | 0.77 | CALCRL (0.44) | ROCK2CYP3A4 | |
| SCHEMBL5659183 | 0.77 | CALCRL (0.44) | ROCK2CYP3A4 | |
| SCHEMBL5779242 | 0.77 | GRIN2B (0.47) | ROCK2ROCK1 | |
| SCHEMBL3594066 | 0.75 | CYP3A4 (0.45) | ROCK2CYP3A4MAPK1 | |
| SCHEMBL5658732 | 0.74 | NAMPT (0.37) | CHRM5ROCK1 | |
| SCHEMBL3604770 | 0.74 | CYP3A4 (0.44) | ROCK2CYP3A4MAPK1 |
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 | ROCK2 4518/4885CYP3A4 1053/4885CHRM5 363/4885 |
“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.