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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.96 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.96 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.96 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.96 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.96 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.96 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.96 |
| ▸ | LMNA | P02545 | 4/20 | 0.71 |
| ▸ | MMP9 | P14780 | 2/20 | 0.65 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
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 SCHEMBL3695587 | 1.00 | CYP3A4 (0.96) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL26056 | 1.00 | CYP3A4 (0.96) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL26057 | 1.00 | CYP3A4 (0.96) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL9476253 | 1.00 | CYP3A4 (0.96) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL735353 | 0.98 | CYP3A4 (1.00) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL24966 | 0.98 | CYP3A4 (1.00) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL2376470 | 0.98 | CYP3A4 (1.00) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL1256614 | 0.96 | CYP3A4 (0.96) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL3245534 | 0.96 | CYP3A4 (0.96) | CYP3A4KDM4EALDH1A1GABRB3OPRD1 | |
| Pentobarbital SCHEMBL4207760 | 0.96 | CYP3A4 (0.96) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6335457-B1 | ORTHOSILICIC ACID COMPLEXED WITH POLYPEPTIDE | EXSYMOL S.A.M. (MC) | 2002-01-01 | — | — | US | disclosed |