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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.44 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
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 SCHEMBL1451667 | 0.91 | CYP3A4 (0.53) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL6822766 | 0.90 | LMNA (0.51) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL15659234 | 0.88 | LMNA (0.50) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL2126265 | 0.88 | LMNA (0.49) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL4907433 | 0.87 | LMNA (0.49) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL1836479 | 0.87 | LMNA (0.49) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL5362744 | 0.87 | CYP3A4 (0.54) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL7033991 | 0.87 | CYP3A4 (0.57) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL1247 | 0.87 | CYP3A4 (0.57) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL9221628 | 0.87 | CYP3A4 (0.57) | LMNACYP3A4KDM4EALDH1A1GABRB3 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9464048-B2 | 5-oxo-ETE receptor antagonist compounds | FLORIDA INSTITUTE OF TECHNOLOGY (US) | 2016-10-11 | — | — | US | disclosed |
| US-20140323535-A1 | 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2014-10-30 | — | — | US | disclosed |
| EP-2427430-B1 | 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS | UNIV MCGILL (CA) | 2014-09-10 | — | — | EP | disclosed |
| US-8809382-B2 | 5-oxo-ETE receptor antagonist compounds | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2014-08-19 | — | — | US | disclosed |
| US-20120122942-A1 | 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS | FLORIDA INSTITUTE OF TECHNOLOGY | 2012-05-17 | — | — | US | disclosed |
| EP-2427430-A1 | 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS | The Royal Institution for the Advancement of Learning / McGill University (CA) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010127452-A1 | 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2010-11-11 | — | — | WO | disclosed |
| US-6218431-B1 | GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES | BAYER CORPORATION | 2001-04-17 | — | — | US | disclosed |
| EP-0778821-B1 | ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF | ZENECA LTD (GB) | 1999-10-20 | — | — | EP | disclosed |
| US-5965741-A | ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES | ZENECA LIMITED (GB) | 1999-10-12 | — | — | US | disclosed |
| EP-0934274-A1 | SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS | Bayer Corporation (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998004528-A2 | SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS | BAYER CORPORATION (US) | 1998-02-05 | — | — | WO | disclosed |
| EP-0778821-A1 | ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF | ZENECA LIMITED (GB) | 1997-06-18 | — | — | EP | disclosed |
| WO-1996006822-A1 | ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF | ZENECA LIMITED (GB) | 1996-03-07 | — | — | 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 (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-20120122942-A1 | 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS | OXER1, PTGIR, EDNRA | GABRB3 493/4885GABRA2 282/4885GABRB2 523/4885 |
| US-20140323535-A1 | 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS | OXER1, PTGIR, EDNRA | GABRB3 493/4885GABRA2 282/4885GABRB2 523/4885 |
“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.