Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.45 |
| ▸ | CES1 | P23141 | 3/20 | 0.45 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.37 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3169297 | 0.84 | KCNN4 (0.51) | CES2CES1KCNN4CYP2C9KEAP1 | |
| Bromomethane SCHEMBL3179019 | 0.79 | KCNN4 (0.47) | CES2CES1KCNN4CYP2C9CYP2D6 | |
| SCHEMBL25262844 | 0.78 | CES2 (0.44) | CES2CES1KCNN4CA3CA6 | |
| SCHEMBL3172763 | 0.78 | CES2 (0.40) | CES2CES1CA3CA6CA5A | |
| SCHEMBL29009876 | 0.77 | AR (0.43) | CES2CES1KCNN4CA3CA6 | |
| SCHEMBL32674562 | 0.77 | CES2 (0.39) | CES2CES1KCNN4CA3CA6 | |
| SCHEMBL3818506 | 0.75 | KCNN4 (0.52) | CES2CES1KCNN4CYP2C9KCNE1 | |
| Benzylic Acid SCHEMBL3170355 | 0.74 | CES2 (0.62) | CES2CES1KCNN4CYP2C9KEAP1 | |
| SCHEMBL71942 | 0.74 | CYP2C9 (0.59) | CES2CES1KCNN4CYP2C9KCNE1 | |
| SCHEMBL29798913 | 0.73 | KCNN4 (0.51) | CES2CES1KCNN4CYP2C9CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1328524-B1 | NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-12-12 | — | — | EP | disclosed |
| US-7652138-B2 | Anticholinergics, processes for preparing them and pharmaceutical composition containing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2010-01-26 | — | — | US | disclosed |
| US-20050054664-A1 | Anticholinergics, processes for preparing them and pharmaceutical composition containing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-03-10 | — | — | US | disclosed |
| US-6852728-B2 | Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-02-08 | — | — | US | disclosed |
| US-20020119991-A1 | Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-08-29 | — | — | 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 (2 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-20020119991-A1 | Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them | CHRM1, CHRM3, CHRM2 | CES2 337/4885CES1 383/4885KCNN4 280/4885 |
| US-20050054664-A1 | Anticholinergics, processes for preparing them and pharmaceutical composition containing them | CHRM1, CHRM3, CHRM2 | CES2 470/4885CES1 568/4885KCNN4 248/4885 |
“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.