Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | AKT1 | P31749 | 14/20 | 0.38 |
| ▸ | AKT2 | P31751 | 6/20 | 0.37 |
| ▸ | AKT3 | Q9Y243 | 6/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5656773 | 0.93 | CYP3A4 (0.41) | CYP3A4ROCK2AKT1AKT2AKT3 | |
| SCHEMBL5659625 | 0.89 | CYP3A4 (0.41) | CYP3A4ROCK2AKT1AKT2AKT3 | |
| SCHEMBL5658362 | 0.89 | ROCK2 (0.44) | CYP3A4ROCK2AKT1AKT2AKT3 | |
| SCHEMBL3593154 | 0.88 | DPP8 (0.46) | CYP3A4ROCK2CHRM1CALCRL | |
| SCHEMBL5661227 | 0.87 | CYP3A4 (0.41) | CYP3A4ROCK2OPRD1CHRM1CALCRL | |
| SCHEMBL5658567 | 0.83 | CYP3A4 (0.58) | CYP3A4ROCK2AKT1CALCRL | |
| SCHEMBL5660462 | 0.83 | CALCA (0.38) | CALCRL | |
| SCHEMBL5661010 | 0.81 | ROCK2 (0.44) | CYP3A4ROCK2OPRD1DPP4 | |
| SCHEMBL5660890 | 0.81 | CYP3A4 (0.46) | CYP3A4ROCK2AKT1OPRD1DPP4 | |
| SCHEMBL5660905 | 0.81 | CYP3A4 (0.55) | CYP3A4ROCK2AKT1CALCRL |
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.