Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Tetrabuthylammonium. 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 | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 7/20 | 0.51 |
| ▸ | PRKCA | P17252 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL1735478 | 0.91 | NR1I2 (0.56) | NR1I2PRKCAMMP12CYP3A4CYP2C9 | |
| SCHEMBL1734178 | 0.86 | NR1I2 (0.58) | NR1I2PRKCAMMP12CYP3A4CYP2C9 | |
| SCHEMBL13939957 | 0.84 | NR1I2 (0.56) | NR1I2PRKCAMMP12CYP3A4CYP2C9 | |
| SCHEMBL14004110 | 0.83 | NR1I2 (0.56) | NR1I2PRKCAMMP12CYP3A4CYP2C9 | |
| SCHEMBL13114048 | 0.83 | NR1I2 (0.56) | NR1I2PRKCAMMP12CYP3A4CYP2C9 | |
| SCHEMBL14004107 | 0.83 | NR1I2 (0.56) | NR1I2PRKCAMMP12CYP3A4CYP2C9 | |
| SCHEMBL13936870 | 0.82 | NR1I2 (0.52) | NR1I2PRKCAMMP12CYP3A4CYP2C9 | |
| SCHEMBL3363666 | 0.82 | NR1I2 (0.57) | NR1I2PRKCAMMP12CYP3A4CYP2C9 | |
| SCHEMBL13936865 | 0.82 | NR1I2 (0.58) | NR1I2PRKCAMMP12CYP3A4CYP2C9 | |
| SCHEMBL14253836 | 0.82 | NR1I2 (0.52) | NR1I2PRKCAMMP12CYP3A4CYP2C9 |
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-2209789-B1 | CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-11-16 | — | — | EP | disclosed |
| WO-2011059239-A3 | METHODS AND APPARATUS TO SUPPORT RECONFIGURATION IN SELF ORGANIZED WIRELESS COMMUNICATIONS AND NETWORKS | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2011-10-27 | — | — | WO | disclosed |