Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 14/20 | 1.00 |
| ▸ | CES1 | P23141 | 13/20 | 1.00 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL4848895 | 0.90 | CES2 (0.81) | CES2CES1CA1CA2CA4 | |
| SCHEMBL28412506 | 0.87 | CES2 (0.76) | CES2CES1CA1CA2CA4 | |
| SCHEMBL4843572 | 0.86 | CES2 (0.74) | CES2CES1 | |
| SCHEMBL28312590 | 0.82 | CES2 (0.70) | CES2CES1CA1CA2CA4 | |
| SCHEMBL9693525 | 0.82 | CES2 (0.70) | CES2CES1CA1CA2CA4 | |
| SCHEMBL221480 | 0.80 | CES2 (0.67) | CES2CES1CA1CA2CA4 | |
| SCHEMBL4843425 | 0.79 | CES2 (0.70) | CES2CES1 | |
| SCHEMBL193908 | 0.78 | CES2 (0.64) | CES2CES1CA1CA2CA4 | |
| SCHEMBL2095495 | 0.78 | CES2 (0.64) | CES2CES1CA1CA2CA4 | |
| SCHEMBL823677 | 0.78 | CES2 (0.64) | CES2CES1CA1CA2CA4 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7973034-B2 | Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2011-07-05 | — | — | US | claimed |
| 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-7973034-B2 | Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2011-07-05 | — | — | US | disclosed |
| US-7973034-B2 | Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2011-07-05 | — | — | US | disclosed |
| US-7973034-B2 | Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2011-07-05 | — | — | US | 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-20080146548-A1 | AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2008-06-19 | — | — | US | disclosed |
| US-20080146548-A1 | AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2008-06-19 | — | — | US | disclosed |
| US-20080146548-A1 | AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2008-06-19 | — | — | US | disclosed |
| US-20050054691-A1 | Carboxylesterase inhibitors | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 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 (3 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-20050054691-A1 | Carboxylesterase inhibitors | CES1, CES2, BCHE | CES2 2/4885CES1 1/4885CA1 1806/4885 |
| US-20080146548-A1 | AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE | CES1, BCHE, CES2 | CES2 3/4885CES1 1/4885CA1 2189/4885 |
| US-20020119991-A1 | Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them | CHRM1, CHRM3, CHRM2 | CES2 337/4885CES1 383/4885CA1 1132/4885 |
“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.