Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Phenobarbital. 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 | 0.38 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 3/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | MMP3 | P08254 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Phenobarbital SCHEMBL7945220 | 0.88 | CYP3A4 (0.49) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL1451667 | 0.83 | CYP3A4 (0.53) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL6822766 | 0.82 | LMNA (0.51) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL15659234 | 0.81 | LMNA (0.50) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL2126265 | 0.81 | LMNA (0.49) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL4907433 | 0.80 | LMNA (0.49) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL1836479 | 0.80 | LMNA (0.49) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL11909903 | 0.80 | LMNA (0.46) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL1247 | 0.80 | CYP3A4 (0.57) | LMNACYP3A4KDM4EALDH1A1GABRB3 | |
| Pentobarbital SCHEMBL7033991 | 0.80 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1680148-A1 | HYDROGEL-CONTAINING MEDICAL ARTICLES AND METHODS OF USING AND MAKING THE SAME | BIOARTIFICIAL GEL TECHNOLOGIES INC. (CA) | 2006-07-19 | — | — | EP | disclosed |
| WO-2005037336-A1 | HYDROGEL-CONTAINING MEDICAL ARTICLES AND METHODS OF USING AND MAKING THE SAME | BIOARTIFICIAL GEL TECHNOLOGIES INC. (CA) | 2005-04-28 | — | — | WO | disclosed |