Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Thialbarbital. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Thialbarbital SCHEMBL714643 | 0.84 | ALDH1A1 (0.32) | — | |
| Thialbarbital SCHEMBL11110725 | 0.84 | ALDH1A1 (0.32) | — | |
| Thialbarbital SCHEMBL714642 | 0.84 | ALDH1A1 (0.32) | — | |
| Thialbarbital SCHEMBL19436260 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL1642994 | 0.77 | MMP9 (0.35) | MMP9 | |
| SCHEMBL713311 | 0.77 | MMP9 (0.35) | MMP9 | |
| Hydrochloric Acid SCHEMBL16927556 | 0.76 | MMP9 (0.34) | MMP9 | |
| SCHEMBL9452872 | 0.76 | MMP9 (0.34) | MMP9 | |
| SCHEMBL10582774 | 0.75 | MMP9 (0.59) | MMP9NR1I2CYP3A4LMNA | |
| Talbutal SCHEMBL122147 | 0.74 | MMP9 (0.76) | MMP9NR1I2CYP3A4LMNA |
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-2593104-A2 | METHODS OF TREATING AND PREVENTING/REDUCING THE LIKELIHOOD OF MESIAL TEMPORAL LOBE EPILEPSY (TLE) | Müller, Prof. Dr., Wolfgang (DE) | 2013-05-22 | — | — | EP | disclosed |
| WO-2011011692-A2 | METHODS OF TREATING AND PREVENTING/REDUCING THE LIKELIHOOD OF MESIAL TEMPORAL LOBE EPILEPSY (TLE) | STC.UNM (US) | 2011-01-27 | — | — | WO | disclosed |