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 | 0.50 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.50 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 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 SCHEMBL8155112 | 0.94 | CYP3A4 (0.49) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL2689394 | 0.94 | CYP3A4 (0.49) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL11435733 | 0.94 | CYP3A4 (0.49) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL7768612 | 0.93 | CYP3A4 (0.54) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL9221628 | 0.93 | CYP3A4 (0.57) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL7033991 | 0.93 | CYP3A4 (0.57) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL1247 | 0.93 | CYP3A4 (0.57) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL1518937 | 0.93 | CYP3A4 (0.49) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL23496511 | 0.92 | CYP3A4 (0.48) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL3474760 | 0.92 | CYP3A4 (0.48) | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9293417-B2 | Method for forming barrier film on wiring line | TOKYO ELECTRON LIMITED (JP) | 2016-03-22 | — | — | US | disclosed |
| US-8323833-B2 | Anode for improving storage performance at a high temperature and lithium secondary battery comprising the same | LG CHEM, LTD. (KR) | 2012-12-04 | — | — | US | disclosed |
| US-20120114869-A1 | FILM FORMING METHOD | TOKYO ELECTRON LIMITED (JP) | 2012-05-10 | — | — | US | disclosed |
| EP-2047546-B1 | LITHIUM SECONDARY BATTERY COMPRISING AN ANODE FOR IMPROVING STORAGE PERFORMANCE AT A HIGH TEMPERATURE | LG CHEMICAL LTD (KR) | 2012-02-01 | — | — | EP | disclosed |
| US-20100159327-A1 | ANODE FOR IMPROVING STORAGE PERFORMANCE AT A HIGH TEMPERATURE AND LITHIUM SECONDARY BATTERY COMPRISING THE SAME | LG CHEM, LTD. (KR) | 2010-06-24 | — | — | US | disclosed |
| EP-2047546-A1 | ANODE FOR IMPROVING STORAGE PERFORMANCE AT A HIGH TEMPERATURE AND LITHIUM SECONDARY BATTERY COMPRISING THE SAME | LG Chemical Limited (KR) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008013380-A1 | ANODE FOR IMPROVING STORAGE PERFORMANCE AT A HIGH TEMPERATURE AND LITHIUM SECONDARY BATTERY COMPRISING THE SAME | LG CHEM, LTD. (KR) | 2008-01-31 | — | — | WO | disclosed |