Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | FABP3 | P05413 | 7/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL2351352 | 0.95 | CA1 (0.50) | CA1FABP3NFKB1BBOX1SLC22A1 | |
| Tetrabuthylammonium SCHEMBL2346227 | 0.93 | CA1 (0.47) | CA1FABP3NFKB1BBOX1SLC22A1 | |
| Tetrabuthylammonium SCHEMBL2349665 | 0.89 | FABP3 (0.50) | CA1FABP3NFKB1 | |
| Tetrapropylammonium SCHEMBL2351268 | 0.86 | CA1 (0.47) | CA1FABP3NFKB1BBOX1 | |
| Tetrapropylammonium SCHEMBL2349918 | 0.83 | FFAR3 (0.44) | CA1FABP3NFKB1BBOX1SLC22A1 | |
| SCHEMBL4916812 | 0.81 | CA1 (0.45) | CA1BBOX1 | |
| Tributylmethylammonium SCHEMBL4921201 | 0.81 | BBOX1 (0.52) | CA1FABP3BBOX1 | |
| Tetrabuthylammonium SCHEMBL106827 | 0.80 | CA1 (0.70) | CA1FABP3NFKB1BBOX1SLC22A1 | |
| Tetrabuthylammonium SCHEMBL108841 | 0.80 | CA1 (0.62) | CA1FABP3NFKB1BBOX1SLC22A1 | |
| Tetrabuthylammonium SCHEMBL104375 | 0.80 | CA1 (0.62) | CA1FABP3NFKB1BBOX1SLC22A1 |
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-3110546-B1 | METHOD FOR MAKING A POLYISOCYANURATE/POLYURETHANE FOAM | EVONIK OPERATIONS GMBH (DE) | 2022-03-30 | — | — | EP | claimed |
| EP-3110546-B1 | METHOD FOR MAKING A POLYISOCYANURATE/POLYURETHANE FOAM | EVONIK OPERATIONS GMBH (DE) | 2022-03-30 | — | — | EP | disclosed |