Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Brexanolone. 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 | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 3/20 | 1.00 |
| ▸ | GABRG2 known ✓ | P18507 | 3/20 | 1.00 |
| ▸ | GABRB3 known ✓ | P28472 | 3/20 | 1.00 |
| ▸ | GABRA2 known ✓ | P47869 | 3/20 | 1.00 |
| ▸ | GABRB2 known ✓ | P47870 | 3/20 | 1.00 |
| ▸ | GABRP known ✓ | O00591 | 2/20 | 1.00 |
| ▸ | GABRD known ✓ | O14764 | 2/20 | 1.00 |
| ▸ | GABRB1 known ✓ | P18505 | 2/20 | 1.00 |
| ▸ | GABRA5 known ✓ | P31644 | 2/20 | 1.00 |
| ▸ | GABRA3 known ✓ | P34903 | 2/20 | 1.00 |
| ▸ | GABRA4 known ✓ | P48169 | 2/20 | 1.00 |
| ▸ | GABRE known ✓ | P78334 | 2/20 | 1.00 |
| ▸ | GABRA6 known ✓ | Q16445 | 2/20 | 1.00 |
| ▸ | GABRG1 known ✓ | Q8N1C3 | 2/20 | 1.00 |
| ▸ | GABRG3 known ✓ | Q99928 | 2/20 | 1.00 |
| ▸ | GABRQ known ✓ | Q9UN88 | 2/20 | 1.00 |
| ▸ | G6PD | P11413 | 7/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 5/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 4/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 3/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Brexanolone SCHEMBL23743678 | 1.00 | G6PD (1.00) | G6PDCYP3A4CYP2C9GABRA1GABRG2 | |
| Brexanolone SCHEMBL23716709 | 1.00 | G6PD (1.00) | G6PDCYP3A4CYP2C9GABRA1GABRG2 | |
| Brexanolone SCHEMBL25079438 | 1.00 | G6PD (1.00) | G6PDCYP3A4CYP2C9GABRA1GABRG2 | |
| Brexanolone SCHEMBL23699798 | 1.00 | G6PD (1.00) | G6PDCYP3A4CYP2C9GABRA1GABRG2 | |
| Brexanolone SCHEMBL23743691 | 1.00 | G6PD (1.00) | G6PDCYP3A4CYP2C9GABRA1GABRG2 | |
| Brexanolone SCHEMBL23743739 | 1.00 | G6PD (1.00) | G6PDCYP3A4CYP2C9GABRA1GABRG2 | |
| Brexanolone SCHEMBL24450442 | 1.00 | G6PD (1.00) | G6PDCYP3A4CYP2C9GABRA1GABRG2 | |
| Brexanolone SCHEMBL24285706 | 1.00 | G6PD (1.00) | G6PDCYP3A4CYP2C9GABRA1GABRG2 | |
| Brexanolone SCHEMBL25079445 | 1.00 | G6PD (1.00) | G6PDCYP3A4CYP2C9GABRA1GABRG2 | |
| Brexanolone SCHEMBL22451790 | 1.00 | G6PD (1.00) | G6PDCYP3A4CYP2C9GABRA1GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021159021-A1 | LIPID PRODRUGS OF NEUROSTEROIDS | PURETECH LYT, INC. (US) | 2021-08-12 | — | — | WO | disclosed |