Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Secobarbital. 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 | 0.69 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.69 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.69 |
| ▸ | MMP9 | P14780 | 1/20 | 0.83 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Secobarbital SCHEMBL80735 | 0.91 | MMP9 (1.00) | MMP9CYP3A4KDM4EALDH1A1GABRB3 | |
| Secobarbital SCHEMBL41181 | 0.91 | MMP9 (1.00) | MMP9CYP3A4KDM4EALDH1A1GABRB3 | |
| Secobarbital SCHEMBL80734 | 0.91 | MMP9 (1.00) | MMP9CYP3A4KDM4EALDH1A1GABRB3 | |
| Secobarbital SCHEMBL8085730 | 0.91 | MMP9 (1.00) | MMP9CYP3A4KDM4EALDH1A1GABRB3 | |
| Secobarbital SCHEMBL614906 | 0.90 | MMP9 (0.97) | MMP9CYP3A4KDM4EALDH1A1GABRB3 | |
| Secobarbital SCHEMBL7599361 | 0.90 | MMP9 (0.97) | MMP9CYP3A4KDM4EALDH1A1GABRB3 | |
| Secobarbital SCHEMBL41182 | 0.90 | MMP9 (0.97) | MMP9CYP3A4KDM4EALDH1A1GABRB3 | |
| Secobarbital SCHEMBL28198576 | 0.88 | MMP9 (0.94) | MMP9CYP3A4KDM4EALDH1A1GABRB3 | |
| Talbutal SCHEMBL122147 | 0.88 | MMP9 (0.76) | MMP9CYP3A4KDM4EALDH1A1GABRB3 | |
| Vinylbital SCHEMBL13724735 | 0.86 | MMP9 (0.74) | MMP9CYP3A4KDM4EALDH1A1GABRB3 |
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-1124581-A1 | TRANSDERMAL DELIVERY OF MEDICATIONS USING A COMBINATION OF PENETRATION ENHANCERS | Grasela, John C. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000025822-A1 | TRANSDERMAL DELIVERY OF MEDICATIONS USING A COMBINATION OF PENETRATION ENHANCERS | GRASELA JOHN C (US) | 2000-05-11 | — | — | WO | disclosed |