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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 SCHEMBL20505712 | 1.00 | TP53 (0.61) | TP53CYP2C19MEN1GLAKMT2A | |
| Tert-Butylamine SCHEMBL19178284 | 0.93 | TP53 (0.53) | TP53CYP2C19MEN1GLAKMT2A | |
| Diethylamine SCHEMBL6388644 | 0.79 | — | — | |
| Diethylamine SCHEMBL2887296 | 0.79 | — | — | |
| Diethylamine SCHEMBL3558785 | 0.78 | — | — | |
| Diethylamine SCHEMBL7368833 | 0.78 | — | — | |
| Diethylamine SCHEMBL7130457 | 0.78 | TP53 (1.00) | TP53CYP2C19MEN1GLAKMT2A | |
| Diethylamine SCHEMBL2698 | 0.78 | — | — | |
| Diethylamine SCHEMBL21224139 | 0.77 | TP53 (0.61) | TP53CYP2C19MEN1GLAKMT2A | |
| SCHEMBL4290336 | 0.76 | — | — |
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-1745020-A2 | SALT FORMS OF ATORVASTATIN | Pfizer Products Incorporated (US) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005105738-A2 | SALT FORMS OF ATORVASTATIN | PFIZER PRODUCTS INC. (US) | 2005-11-10 | — | — | WO | disclosed |