Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tert-Butylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 2/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | NT5E | P21589 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Tert-Butylamine SCHEMBL3177547 | 0.87 | CA5A (0.50) | TSHRCA5ACA5BALDH1A1TP53 | |
| Tert-Butylamine SCHEMBL3177538 | 0.87 | CA5A (0.50) | TSHRCA5ACA5BALDH1A1TP53 | |
| Sulfuric Acid SCHEMBL28235289 | 0.83 | TSHR (0.46) | TSHRCA5ACA5BALDH1A1TP53 | |
| Sulfuric Acid SCHEMBL9309454 | 0.83 | TSHR (0.46) | TSHRCA5ACA5BALDH1A1TP53 | |
| Sulfuric Acid SCHEMBL28235288 | 0.83 | TSHR (0.46) | TSHRCA5ACA5BALDH1A1TP53 | |
| Sulfuric Acid SCHEMBL27887627 | 0.83 | TSHR (0.46) | TSHRCA5ACA5BALDH1A1TP53 | |
| Sulfuric Acid SCHEMBL84046 | 0.83 | — | — | |
| Sulfuric Acid SCHEMBL13506810 | 0.83 | TSHR (0.55) | TSHRCA5ACA5BALDH1A1TP53 | |
| Sulfuric Acid SCHEMBL21624984 | 0.83 | TSHR (0.55) | TSHRCA5ACA5BALDH1A1TP53 | |
| Tert-Butylamine SCHEMBL8359529 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116283619-A | Salbutamol sulfate impurity and preparation method thereof | 河北广祥制药有限公司 | 2023-06-23 | — | — | CN | disclosed |