Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1958678 | 0.76 | — | — | |
| Tetrabuthylammonium SCHEMBL27575970 | 0.71 | SLC22A1 (0.75) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Fluoride Ion SCHEMBL31521698 | 0.70 | SLC22A1 (0.57) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL1470940 | 0.69 | ALOX15 (0.32) | ALOX15 | |
| SCHEMBL12676068 | 0.69 | TSHR (0.50) | ALDH1A1CYP3A4TSHRSMN1; SMN2HSD17B10 | |
| Tetrabuthylammonium SCHEMBL28319123 | 0.69 | SLC22A1 (0.71) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL5494304 | 0.69 | — | — | |
| Tetrabuthylammonium SCHEMBL1891 | 0.68 | SLC22A1 (0.92) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL37661 | 0.68 | SLC22A1 (0.92) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 | |
| Tetrabuthylammonium SCHEMBL12611195 | 0.68 | SLC22A1 (0.92) | SLC22A1ALDH1A1TP53CYP3A4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-6891044-B2 | Indazole compounds and pharmaceutical compositions for Inhibiting protein kinases, and methods for their use | AGOURON PHARMACEUTICALS, INC. (US) | 2005-05-10 | — | — | US | claimed |
| US-20040220248-A1 | INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE | KANIA ROBERT STEVEN (US) | 2004-11-04 | — | — | US | claimed |
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-20040220248-A1 | INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE | CDK3, BRAF, ROCK1 | SLC22A1 4591/4885ALDH1A1 2836/4885TP53 195/4885 |
“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.