Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.39 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.39 |
| ▸ | TSHR | P16473 | 7/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL938894 | 0.96 | ITGB3 (0.39) | CYP3A4CYP2D6CYP1A2SMN1; SMN2CYP2C9 | |
| SCHEMBL938222 | 0.93 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP1A2SMN1; SMN2BDKRB1 | |
| SCHEMBL940776 | 0.89 | CYP2D6 (0.47) | CYP3A4CYP2D6CYP1A2SMN1; SMN2CYP2C9 | |
| SCHEMBL939921 | 0.89 | CYP2C9 (0.40) | CYP3A4CYP2D6CYP1A2SMN1; SMN2BDKRB1 | |
| SCHEMBL939220 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2SMN1; SMN2BDKRB1 | |
| SCHEMBL11947923 | 0.85 | CYP3A4 (0.40) | CYP3A4CYP2D6CYP1A2SMN1; SMN2BDKRB1 | |
| SCHEMBL938443 | 0.85 | CYP3A4 (0.42) | CYP3A4CYP2D6CYP1A2SMN1; SMN2CYP2C9 | |
| SCHEMBL939152 | 0.85 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2CYP2C9TSHR | |
| SCHEMBL939902 | 0.84 | ITGB3 (0.39) | CYP3A4CYP2D6CYP1A2SMN1; SMN2CYP2C9 | |
| SCHEMBL939340 | 0.84 | CYP2C9 (0.45) | CYP3A4CYP2D6CYP1A2SMN1; SMN2BDKRB1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2440542-B1 | Substituted benzimidazoles, benzonthiazoles and benzoxazoles | GRUENENTHAL GMBH (DE) | 2013-12-18 | — | — | EP | claimed |
| US-8232288-B2 | Substituted benzimidazoles, benzothiazoles and benzoxazoles | GRUENENTHAL GMBH (DE) | 2012-07-31 | — | — | US | claimed |
| US-20110009382-A1 | Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles | GRUENENTHAL GMBH (DE) | 2011-01-13 | — | — | US | claimed |
| WO-2010142402-A1 | SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES | Grünenthal GmbH (DE) | 2010-12-16 | — | — | WO | claimed |
| EP-2440542-B1 | Substituted benzimidazoles, benzonthiazoles and benzoxazoles | GRUENENTHAL GMBH (DE) | 2013-12-18 | — | — | EP | disclosed |
| US-8232288-B2 | Substituted benzimidazoles, benzothiazoles and benzoxazoles | GRUENENTHAL GMBH (DE) | 2012-07-31 | — | — | US | disclosed |
| EP-2440542-A1 | SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES | Grünenthal GmbH (DE) | 2012-04-18 | — | — | EP | disclosed |
| US-20110009382-A1 | Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles | GRUENENTHAL GMBH (DE) | 2011-01-13 | — | — | US | disclosed |
| WO-2010142402-A1 | SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES | Grünenthal GmbH (DE) | 2010-12-16 | — | — | WO | 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-20110009382-A1 | Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles | BDKRB1, BDKRB2, BRD1 | CYP3A4 253/4885CYP2D6 1223/4885CYP1A2 902/4885 |
“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.