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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.57 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.57 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
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 SCHEMBL9221628 | 1.00 | CYP3A4 (0.57) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL7033991 | 1.00 | CYP3A4 (0.57) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL2475274 | 0.98 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL21634384 | 0.98 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL11127769 | 0.98 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL23045802 | 0.98 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL11559632 | 0.98 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL9216527 | 0.98 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL6594849 | 0.98 | CYP3A4 (0.55) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL1052470 | 0.98 | 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
Appears in 464943 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-7121939-B2 | — | トヨタ自動車株式会社 | 2022-08-19 | — | — | JP | claimed |
| US-20190321343-A1 | Anti-Fibrotic Pyridinones | GENENTECH, INC. | 2019-10-24 | — | — | US | claimed |
| US-20190322674-A1 | IMIDAZOPYRIDAZINE COMPOUNDS | PFIZER (US) | 2019-10-24 | — | — | US | claimed |
| EP-3286231-B1 | CATALYST COMPOSITION COMPRISING FLUORIDED SUPPORT AND PROCESSES FOR USE THEREOF | EXXONMOBIL CHEMICAL PATENTS INC (US) | 2019-10-09 | — | — | EP | claimed |
| EP-2652029-B1 | ORGANIC COLORANTS AND COLORED POLYMER COMPOSITIONS HAVING HIGH STABILITY AGAINST WEATHERING | COVESTRO DEUTSCHLAND AG (DE) | 2019-10-09 | — | — | EP | claimed |
| US-10435439-B2 | Peptide with safer secondary structure, peptide library, and production methods for same | THE UNIVERSITY OF TOKYO (JP) | 2019-10-08 | — | — | US | claimed |
| US-10435349-B2 | Iron-catalyzed cross-coupling of methanol with secondary or tertiary alcohols to produce formate esters | EASTMAN CHEMICAL COMPANY (US) | 2019-10-08 | — | — | US | claimed |
| EP-3539951-A1 | NOVEL PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER AND INFLAMMATORY DISEASES | Korea Research Institute of Chemical Technology (KR) | 2019-09-18 | — | — | EP | claimed |
| EP-3539208-A1 | ELECTROSTATIC MACHINE SYSTEM AND METHOD OF OPERATION | C-Motive Technologies Inc. (US) | 2019-09-18 | — | — | EP | claimed |
| EP-3538567-A1 | CATALYST COMPOSITIONS AND USE THEREOF | ExxonMobil Chemical Patents Inc. (US) | 2019-09-18 | — | — | EP | claimed |
| US-3956403-A | Brominated biphenols | GENERAL ELECTRIC COMPANY (US) | 1976-05-11 | — | — | US | claimed |
| US-3953410-A | COORDINATION CATALYSTS | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-04-27 | — | — | US | claimed |
| US-3952106-A | INSECTICIDE, MITICIDE | MORTON-NORWICH PRODUCTS, INC. (US) | 1976-04-20 | — | — | US | claimed |
| US-3950395-A | ANTHELMINTICS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-13 | — | — | US | claimed |
| US-3943125-A | Substituted tetraamino heterocyclic compounds, useful in the preparation of substituted polybenzimidazoles and poly-imidazopyrrolones | HORIZONS INCORPORATED, A DIVISION OF HORIZONS RESEARCH INCORPORATED (US) | 1976-03-09 | — | — | US | claimed |
| US-3940413-A | ANTIMYCOTIC | BAYER AKTIENGESELLSCHAFT (DT) | 1976-02-24 | — | — | US | claimed |
| US-3936493-A | Diarylmethylenes | ORTHO PHARMACEUTICAL CORPORATION (US) | 1976-02-03 | — | — | US | claimed |
| US-3936487-A | RACEMIC MIXTURES, ANTIULCER, ANTICOAGULANT, LABOR INDUCING | THE UPJOHN COMPANY (US) | 1976-02-03 | — | — | US | claimed |
| US-3933850-A | Method for making N,N'-methylene bismaleimides and products made therefrom | GENERAL ELECTRIC COMPANY (US) | 1976-01-20 | — | — | US | claimed |
| US-3930862-A | DYE DEVELOPER TRANSFER PHOTOSENSITIVE MATERIAL WITH SUBSTITUTED CATECHOL AUXILIARY DEVELOPER | FUJI PHOTO FILM CO., LTD. (JA) | 1976-01-06 | — | — | US | claimed |