Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 4/20 | 0.86 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.58 |
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 SCHEMBL24883 | 0.96 | SLC22A1 (0.92) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL25266692 | 0.96 | SLC22A1 (0.92) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL28480847 | 0.96 | SLC22A1 (0.92) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL987324 | 0.96 | SLC22A1 (0.92) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL17185153 | 0.93 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL5120191 | 0.93 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL987325 | 0.93 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL21525929 | 0.93 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Iodide SCHEMBL5085069 | 0.93 | SLC22A1 (0.86) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL8415437 | 0.93 | SLC22A1 (0.86) | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130096346-A1 | RESOLUTION METHODS FOR ISOLATING DESIRED ENANTIOMERS OF TAPENTADOL INTERMEDIATES AND USE THEREOF FOR THE PREPARATION OF TAPENTADOL | ACTAVIS GROUP PTC EHF (IS) | 2013-04-18 | — | — | US | claimed |
| EP-2542521-A2 | IMPROVED RESOLUTION METHODS FOR ISOLATING DESIRED ENANTIOMERS OF TAPENTADOL INTERMEDIATES AND USE THEREOF FOR THE PREPARATION OF TAPENTADOL | Actavis Group Ptc Ehf (IS) | 2013-01-09 | — | — | EP | claimed |
| WO-2012146978-A2 | A NOVEL PROCESS FOR THE PREPARATION OF TAPENTADOL OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ACTAVIS GROUP PTC EHF (IS) | 2012-11-01 | — | — | WO | claimed |
| WO-2011107876-A2 | IMPROVED RESOLUTION METHODS FOR ISOLATING DESIRED ENANTIOMERS OF TAPENTADOL INTERMEDIATES AND USE THEREOF FOR THE PREPARATION OF TAPENTADOL | ACTAVIS GROUP PTC EHF (IS) | 2011-09-09 | — | — | WO | claimed |
| US-20130096346-A1 | RESOLUTION METHODS FOR ISOLATING DESIRED ENANTIOMERS OF TAPENTADOL INTERMEDIATES AND USE THEREOF FOR THE PREPARATION OF TAPENTADOL | ACTAVIS GROUP PTC EHF (IS) | 2013-04-18 | — | — | US | disclosed |
| EP-2542521-A2 | IMPROVED RESOLUTION METHODS FOR ISOLATING DESIRED ENANTIOMERS OF TAPENTADOL INTERMEDIATES AND USE THEREOF FOR THE PREPARATION OF TAPENTADOL | Actavis Group Ptc Ehf (IS) | 2013-01-09 | — | — | EP | disclosed |
| WO-2012146978-A2 | A NOVEL PROCESS FOR THE PREPARATION OF TAPENTADOL OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ACTAVIS GROUP PTC EHF (IS) | 2012-11-01 | — | — | WO | disclosed |
| WO-2011107876-A2 | IMPROVED RESOLUTION METHODS FOR ISOLATING DESIRED ENANTIOMERS OF TAPENTADOL INTERMEDIATES AND USE THEREOF FOR THE PREPARATION OF TAPENTADOL | ACTAVIS GROUP PTC EHF (IS) | 2011-09-09 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130096346-A1 | RESOLUTION METHODS FOR ISOLATING DESIRED ENANTIOMERS OF TAPENTADOL INTERMEDIATES AND USE THEREOF FOR THE PREPARATION OF TAPENTADOL | OPRD1, OPRK1, OPRM1 | SLC22A1 3585/4885SLC22A2 2716/4885ALDH1A1 878/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.