Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Metharbital. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | ELANE | P08246 | 6/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | MMP8 | P22894 | 2/20 | 0.39 |
| ▸ | MMP13 | P45452 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Metharbital SCHEMBL78867 | 0.83 | ATM (0.60) | LMNAELANENPSR1CYP2C19TSHR | |
| Mephobarbital SCHEMBL1004749 | 0.81 | LMNA (0.86) | LMNAELANENPSR1CYP2C19TSHR | |
| SCHEMBL27630388 | 0.76 | ELANE (0.73) | LMNAELANENPSR1CYP2C19ALDH1A1 | |
| Ethotoin SCHEMBL6136639 | 0.74 | LMNA (0.67) | LMNAELANECYP2C19TSHRATM | |
| Phetharbital SCHEMBL78655 | 0.72 | ELANE (0.71) | LMNAELANENPSR1 | |
| (R)-Methylphenobarbital SCHEMBL11789851 | 0.71 | LMNA (1.00) | LMNAELANECYP2C19TSHRMMP2 | |
| Mephobarbital SCHEMBL35624 | 0.71 | LMNA (1.00) | LMNAELANECYP2C19TSHRMMP2 | |
| (S)-Methylphenobarbital SCHEMBL35625 | 0.71 | LMNA (1.00) | LMNAELANECYP2C19TSHRMMP2 | |
| SCHEMBL15974518 | 0.71 | ELANE (0.54) | LMNAELANECYP2C19TSHRMMP2 | |
| Mephobarbital SCHEMBL28475568 | 0.70 | LMNA (0.97) | LMNAELANECYP2C19TSHRMMP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |