Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Methohexital. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 3/20 | 0.43 |
| ▸ | GABRG2 known ✓ | P18507 | 3/20 | 0.43 |
| ▸ | GABRB3 known ✓ | P28472 | 3/20 | 0.43 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 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 |
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 | |
|---|---|---|---|---|
| Methohexital SCHEMBL20980055 | 0.86 | MMP9 (0.42) | LMNAGABRA1GABRG2GABRB3GABRB2 | |
| Methohexital SCHEMBL80730 | 0.86 | MMP9 (0.42) | LMNAGABRA1GABRG2GABRB3GABRB2 | |
| Methohexital SCHEMBL19420179 | 0.86 | MMP9 (0.42) | LMNAGABRA1GABRG2GABRB3GABRB2 | |
| Methohexital SCHEMBL11111822 | 0.86 | MMP9 (0.42) | LMNAGABRA1GABRG2GABRB3GABRB2 | |
| Methohexital SCHEMBL80729 | 0.86 | MMP9 (0.42) | LMNAGABRA1GABRG2GABRB3GABRB2 | |
| Methohexital SCHEMBL5115660 | 0.85 | MMP9 (0.41) | LMNAGABRA1GABRG2GABRB3GABRB2 | |
| Mephobarbital SCHEMBL500419 | 0.82 | LMNA (0.61) | LMNAGABRA1GABRG2GABRB3GABRB2 | |
| (R)-Methylphenobarbital SCHEMBL11789851 | 0.77 | LMNA (1.00) | LMNAGABRA1GABRG2GABRB3GABRB2 | |
| (S)-Methylphenobarbital SCHEMBL35625 | 0.77 | LMNA (1.00) | LMNAGABRA1GABRG2GABRB3GABRB2 | |
| Mephobarbital SCHEMBL35624 | 0.77 | LMNA (1.00) | LMNAGABRA1GABRG2GABRB3GABRB2 |
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 |