Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 8/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.37 |
| ▸ | AKT2 | P31751 | 3/20 | 0.37 |
| ▸ | AKT3 | Q9Y243 | 3/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5661227 | 0.96 | CYP3A4 (0.41) | CYP3A4ROCK2L3MBTL3L3MBTL1CALCRL | |
| SCHEMBL5661010 | 0.90 | ROCK2 (0.44) | CYP3A4ROCK2OPRD1HDAC8 | |
| SCHEMBL3593154 | 0.89 | DPP8 (0.46) | CYP3A4ROCK2L3MBTL3L3MBTL1CALCRL | |
| SCHEMBL5656825 | 0.89 | CYP3A4 (0.42) | CYP3A4ROCK2CALCRLAKT1AKT2 | |
| SCHEMBL5656773 | 0.89 | CYP3A4 (0.41) | CYP3A4ROCK2CALCRLAKT1DPP8 | |
| SCHEMBL5659152 | 0.84 | CYP3A4 (0.57) | CYP3A4ROCK2CALCRLAKT1 | |
| SCHEMBL5660718 | 0.84 | CALCRL (0.43) | CYP3A4CALCRL | |
| SCHEMBL5660915 | 0.82 | F10 (0.51) | CYP3A4ROCK2F10CALCRLAKT1 | |
| SCHEMBL5661006 | 0.81 | CYP3A4 (0.54) | CYP3A4ROCK2CALCRL | |
| SCHEMBL3284873 | 0.81 | L3MBTL3 (0.44) | CYP3A4L3MBTL3L3MBTL1CALCRLDPP8 |
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 4518/4885L3MBTL3 4854/4885 |
“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.