Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 5/20 | 0.51 |
| ▸ | CES1 | P23141 | 5/20 | 0.51 |
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TAS2R10 | Q9NYW0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL10945582 | 1.00 | CA2 (0.52) | CA2CA4CES2CES1NAAA | |
| Tetrabuthylammonium SCHEMBL108878 | 0.97 | CA2 (0.55) | CA2CA4CES2CES1NAAA | |
| Tetrabuthylammonium SCHEMBL23045178 | 0.97 | CA2 (0.55) | CA2CA4CES2CES1NAAA | |
| Tetrabuthylammonium SCHEMBL8579564 | 0.95 | CA2 (0.53) | CA2CA4CES2CES1NAAA | |
| Tetrapentylammonium SCHEMBL237498 | 0.93 | CA2 (0.55) | CA2CA4CES2CES1NAAA | |
| Tetrapropylammonium SCHEMBL109035 | 0.93 | CA2 (0.59) | CA2CA4CES2CES1NAAA | |
| Tetrabuthylammonium SCHEMBL8579570 | 0.92 | CES2 (0.50) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL237507 | 0.92 | CES2 (0.56) | CA2CA4CES2CES1NAAA | |
| Tetrahexylammonium SCHEMBL49208 | 0.92 | CES2 (0.56) | CA2CA4CES2CES1NAAA | |
| Benzoic Acid SCHEMBL238614 | 0.92 | CES2 (0.56) | CA2CA4CES2CES1NAAA |
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-1937738-A1 | ONE-COMPONENT POLYURETHANE SYSTEMS THAT ARE DEVOID OF METAL | Evonik Degussa GmbH (DE) | 2008-07-02 | — | — | EP | claimed |
| WO-2007045615-A1 | ONE-COMPONENT POLYURETHANE SYSTEMS THAT ARE DEVOID OF METAL | EVONIK DEGUSSA GMBH (DE) | 2007-04-26 | — | — | WO | claimed |