Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 14/20 | 0.57 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP4 | P49662 | 1/20 | 0.42 |
| ▸ | CASP5 | P51878 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL785792 | 0.99 | HRH4 (0.56) | HRH4CXCR4HCRTR1HCRTR2CASP1 | |
| SCHEMBL27902612 | 0.83 | SIGMAR1 (0.49) | CXCR4ALDH1A1CHRM4 | |
| SCHEMBL16622452 | 0.81 | SMO (0.47) | HRH4CXCR4ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL16612623 | 0.80 | SMO (0.46) | HRH4CXCR4ROCK2ROCK1 | |
| SCHEMBL23916215 | 0.79 | HRH4 (0.53) | HRH4 | |
| SCHEMBL784947 | 0.79 | HRH4 (0.82) | HRH4ROCK2ROCK1 | |
| SCHEMBL27297657 | 0.79 | HRH4 (0.53) | HRH4ALDH1A1 | |
| SCHEMBL16622435 | 0.77 | CXCR4 (0.60) | HRH4CXCR4CASP1CASP4CASP5 | |
| SCHEMBL785378 | 0.76 | CCR3 (0.44) | HCRTR1HCRTR2CHRM4 | |
| SCHEMBL784687 | 0.76 | SIGMAR1 (0.57) | CXCR4ALDH1A1ROCK2ROCK1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2857388-A1 | Azoles containing sulfone | Grünenthal GmbH (DE) | 2015-04-08 | — | — | EP | disclosed |
| US-8680159-B2 | Bradykinin 1 receptor modulating compounds | GRUENENTHAL GMBH (DE) | 2014-03-25 | — | — | US | disclosed |
| US-8680159-B2 | Bradykinin 1 receptor modulating compounds | GRUENENTHAL GMBH (DE) | 2014-03-25 | — | — | US | disclosed |
| EP-2619178-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012038081-A1 | SUBSTITUTED BENZAMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-03-29 | — | — | WO | disclosed |
| US-20120071461-A1 | Substituted Benzamide Compounds | GRUENENTHAL GMBH (DE) | 2012-03-22 | — | — | US | disclosed |
| US-20120071461-A1 | Substituted Benzamide Compounds | GRUENENTHAL GMBH (DE) | 2012-03-22 | — | — | 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-20120071461-A1 | Substituted Benzamide Compounds | BDKRB1, BDKRB2, HRH2 | HRH4 5/4885CXCR4 325/4885HCRTR1 214/4885 |
“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.