Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Tetrapropylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 4/20 | 0.91 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Tetrapropylammonium SCHEMBL107085 | 1.00 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL3625218 | 0.96 | SLC22A1 (0.83) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL27803275 | 0.96 | SLC22A1 (0.83) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL59838 | 0.95 | SLC22A1 (1.00) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL5490456 | 0.95 | SLC22A1 (1.00) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL10711977 | 0.91 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL49582 | 0.91 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL9700571 | 0.91 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL107528 | 0.91 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrapropylammonium SCHEMBL9302423 | 0.91 | SLC22A1 (0.91) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0974595-B1 | PROCESS FOR PRODUCING BORON COMPOUNDS | SHOWA DENKO KK (JP) | 2003-10-01 | — | — | EP | disclosed |