Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGAV | P06756 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | FDFT1 | P37268 | 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 | |
|---|---|---|---|---|
| SCHEMBL8326056 | 0.89 | PTGDR2 (0.45) | PDE4APDE4BPDE4CPDE4DITGB3 | |
| SCHEMBL2313323 | 0.87 | CACNA1H (0.46) | CYP3A4CYP2D6STING1CACNA1HCYP2C9 | |
| SCHEMBL2848085 | 0.81 | PDE10A (0.46) | ITGB3ITGAVSTING1RXFP1 | |
| SCHEMBL8570003 | 0.72 | PDE4A (0.46) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8570317 | 0.72 | PDE4D (0.52) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL25526046 | 0.71 | ALDH1A1 (0.49) | CYP3A4 | |
| SCHEMBL393422 | 0.71 | HTT (0.52) | RXFP1 | |
| SCHEMBL8326626 | 0.71 | NPC1 (0.52) | CYP2C9 | |
| SCHEMBL7367495 | 0.71 | ALDH1A1 (0.58) | — | |
| SCHEMBL2846220 | 0.71 | RAF1 (0.41) | PDE4APDE4BPDE4CPDE4DPTGDR2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2344461-B1 | SALTS OF ISOBUTYRIC ACID (1R*,2R*,4R*)-2-(2-{[3-(4,7-DIMETHOXY-1 H-BENZOIMIDAZOL-2-YL)-PROPYL]-METHYL-AMINO}-ETHYL)-5-PHENYL-BICYCLO[2.2.2]OCT-5-EN-2-YL ESTER | ACTELION PHARMACEUTICALS LTD (CH) | 2016-12-14 | — | — | EP | disclosed |
| US-8492555-B2 | Salts of isobutyric acid (1 R*, 2R*, 4R*)-2-(2-{[3-(4,7-dimethoxy-1 H-benzoimidazol-2-yl)-methyl-amino}-ethyl)-5-phenyl-bicyclo[2.2.2]oct-5-en-2-yl ester | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-07-23 | — | — | US | disclosed |
| US-20110263667-A1 | SALTS OF ISOBUTYRIC ACID (1 R*,2R*,4R*) -2- (2- - ETHYL)-5-PHENYL-BICYCLO [2.2.2] OCT-5-EN-2-YL | IDORSIA PHARMACEUTICALS LTD (CH) | 2011-10-27 | — | — | US | disclosed |
| US-20110039905-A1 | BENZIMIDAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-02-17 | — | — | US | disclosed |
| EP-2271628-A1 | BENZIMIDAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Actelion Pharmaceuticals Ltd. (CH) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009130679-A1 | BENZIMIDAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-10-29 | — | — | 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-20110039905-A1 | BENZIMIDAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | CACNA1I, KCNN4, KCNN3 | PDE4A 1328/4885PDE4B 1427/4885PDE4C 1988/4885 |
“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.