Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Pentobarbital. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.68 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.68 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| Pentobarbital SCHEMBL7033991 | 0.94 | CYP3A4 (0.57) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL9221628 | 0.94 | CYP3A4 (0.57) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL1247 | 0.94 | CYP3A4 (0.57) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL11559632 | 0.93 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL21634384 | 0.93 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL23045802 | 0.93 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL11127769 | 0.93 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL2475274 | 0.93 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL6594849 | 0.93 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL9216527 | 0.93 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020236975-A1 | METHODS AND PHARMACEUTICAL COMPOSITIONS TO TREAT DRUG OVERDOSE | PERGOLIZZI JOSEPH V (US) | 2020-11-26 | — | — | WO | disclosed |
| US-8222261-B2 | Chemical compounds | GlaxoSmithKline, LLC (US) | 2012-07-17 | — | — | US | disclosed |
| US-20090318477-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC | 2009-12-24 | — | — | US | disclosed |
| EP-2043744-A2 | CHEMICAL COMPOUNDS | SmithKline Beecham Corporation (US) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008008895-A1 | GPR119 AGONISTS FOR THE TREATMENT OF DIABETES AND RELATED DISORDERS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-01-17 | — | — | WO | disclosed |
| WO-2008008887-A2 | GPR119 AGONISTS FOR TREATING METABOLIC DISORDERS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-01-17 | — | — | WO | disclosed |
| US-20020035117-A1 | Theophylline and 3-isobutyl-1-methylxanthine based N-7 substituted derivatives displaying inhibitory activities on type five phosphodiesterase | CHEN ING-JUN (TW) | 2002-03-21 | — | — | US | disclosed |
| EP-0388226-B1 | Means for the treatment of senile dementia, memory disorders and related conditions | AJINOMOTO KK (JP) | 1995-08-09 | — | — | EP | disclosed |
| EP-0388226-A2 | Means for the treatment of senile dementia, memory disorders and related conditions | AJINOMOTO CO., INC. (JP) | 1990-09-19 | — | — | EP | disclosed |
| US-4574079-A | Radiolabeled angiotensin converting enzyme inhibitors for radiolabeling mammalian organ sites | BOSTON UNIVERSITY, A NOT FOR PROFIT CORP | 1986-03-04 | — | — | 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-20090318477-A1 | CHEMICAL COMPOUNDS | GPR119, GOT2, SLC5A2 | GABRB3 1237/4885GABRA2 2001/4885GABRB2 933/4885 |
| US-20020035117-A1 | Theophylline and 3-isobutyl-1-methylxanthine based N-7 substituted derivatives displaying inhibitory activities on type five phosphodiesterase | PDE3A, PDE3B, PDE5A | GABRB3 1070/4885GABRA2 2049/4885GABRB2 1566/4885 |
“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.