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 | 0.42 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.42 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 SCHEMBL8081141 | 0.92 | LMNA (0.47) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL477033 | 0.89 | CYP3A4 (0.50) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL1451667 | 0.89 | CYP3A4 (0.53) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL7152508 | 0.88 | CYP3A4 (0.45) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL1836479 | 0.88 | LMNA (0.49) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL2769858 | 0.87 | CYP3A4 (0.51) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL10727223 | 0.87 | CYP3A4 (0.51) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL4202506 | 0.86 | LMNA (0.44) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL2126265 | 0.86 | LMNA (0.49) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL2689394 | 0.85 | CYP3A4 (0.49) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9725383-B2 | Oxygenates-free C8-C12 aromatic hydrocarbon stream and a process for preparing the same | RELIANCE INDUSTRIES LIMITED (IN) | 2017-08-08 | — | — | US | disclosed |
| US-20150073197-A1 | Oxygenates-Free C8-C12 Aromatic Hydrocarbon Stream and a Process for Preparing the Same | RELIANCE INDUSTRIES LIMITED (IN) | 2015-03-12 | — | — | US | disclosed |
| EP-2834211-A1 | AN OXYGENATES-FREE C8-C12 AROMATIC HYDROCARBON STREAM AND A PROCESS FOR PREPARING THE SAME | Reliance Industries Limited (IN) | 2015-02-11 | — | — | EP | disclosed |
| WO-2013175490-A1 | AN OXYGENATES-FREE C8-C12 AROMATIC HYDROCARBON STREAM AND A PROCESS FOR PREPARING THE SAME | RELIANCE INDUSTRIES LIMITED (IN) | 2013-11-28 | — | — | WO | disclosed |